O-ethyl [(6aS,8Z,10aR,11R,11aR,12R)-8-[azanyl(oxidanyl)methylidene]-12-methyl-4,5,6a,11-tetrakis(oxidanyl)-6,7,9-tris(oxidanylidene)-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]sulfanylmethanethioate

Systemtic Name: O-ethyl [(6aS,8Z,10aR,11R,11aR,12R)-8-[azanyl(oxidanyl)methylidene]-12-methyl-4,5,6a,11-tetrakis(oxidanyl)-6,7,9-tris(oxidanylidene)-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]sulfanylmethanethioate Openeye Name: O-ethyl [(6aS,8Z,10aR,11R,11aR,12R)-8-[amino(hydroxy)methylene]-4,5,6a,11-tetrahydroxy-12-methyl-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]sulfanylmethanethioate CAS Name: [[(6aS,8Z,10aR,11R,11aR,12R)-8-[amino(hydroxy)methylidene]-4,5,6a,11-tetrahydroxy-12-methyl-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [(6aS,8Z,10aR,11R,11aR,12R)-8-[amino(hydroxy)methylidene]-4,5,6a,11-tetrahydroxy-12-methyl-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]sulfanylmethanethioate Traditional Name: [[(6aS,8Z,10aR,11R,11aR,12R)-8-[amino(hydroxy)methylene]-4,5,6a,11-tetrahydroxy-6,7,9-triketo-12-methyl-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]thio]methanethioic acid O-ethyl ester Formula: C23H23NO9S2 MolecularWeight: 521.56002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC1=C2C(C3C(C4CC(=O)C(=C(N)O)C(=O)C4(C(=O)C3=C(C2=C(C=C1)O)O)O)O)C

Isomeric SMILES

CCOC(=S)SC1=C2[C@@H]([C@H]3[C@H]([C@H]4CC(=O)/C(=C(\N)/O)/C(=O)[C@]4(C(=O)C3=C(C2=C(C=C1)O)O)O)O)C

InChI

InChI=1S/C23H23NO9S2/c1-3-33-22(34)35-11-5-4-9(25)14-12(11)7(2)13-16(18(14)28)20(30)23(32)8(17(13)27)6-10(26)15(19(23)29)21(24)31/h4-5,7-8,13,17,25,27-28,31-32H,3,6,24H2,1-2H3/b21-15-/t7-,8+,13+,17-,23+/m0/s1