(2Z,4S,5S,6R,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-(2-methylpropylsulfanylmethyl)-5,10,11,12a-tetrakis(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione

Systemtic Name: (2Z,4S,5S,6R,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-(2-methylpropylsulfanylmethyl)-5,10,11,12a-tetrakis(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Openeye Name: (2Z,4S,5S,6R,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-(isobutylsulfanylmethyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione CAS Name: (2Z,4S,5S,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-[(2-methylpropylthio)methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione IUPAC Name: (2Z,4S,5S,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-(2-methylpropylsulfanylmethyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Traditional Name: (2Z,4S,5S,6R,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-[(isobutylthio)methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Formula: C26H32N2O8S MolecularWeight: 532.60588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSCC1C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O

Isomeric SMILES

CC(C)CSC[C@@H]1C2[C@@H](C3[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O

InChI

InChI=1S/C26H32N2O8S/c1-10(2)8-37-9-12-11-6-5-7-13(29)14(11)20(30)16-15(12)21(31)18-19(28(3)4)22(32)17(25(27)35)24(34)26(18,36)23(16)33/h5-7,10,12,15,18-19,21,29-31,35-36H,8-9,27H2,1-4H3/b25-17-/t12-,15?,18?,19-,21-,26-/m0/s1