methyl (4S)-6-azanyl-4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-methyl-thiophen-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: methyl (4S)-6-azanyl-4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-methyl-thiophen-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: methyl (4S)-6-amino-4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-methyl-2-thienyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-4-[4-[(1,3-benzothiazol-2-ylthio)methyl]-5-methyl-2-thiophenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-amino-4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-methylthiophen-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-4-[4-[(1,3-benzothiazol-2-ylthio)methyl]-5-methyl-2-thienyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid methyl ester Formula: C22H19N3O3S3 MolecularWeight: 469.59956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(S2)C)CSC3=NC4=CC=CC=C4S3)C(=O)OC

Isomeric SMILES

CC1=C([C@H](C(=C(O1)N)C#N)C2=CC(=C(S2)C)CSC3=NC4=CC=CC=C4S3)C(=O)OC

InChI

InChI=1S/C22H19N3O3S3/c1-11-18(21(26)27-3)19(14(9-23)20(24)28-11)17-8-13(12(2)30-17)10-29-22-25-15-6-4-5-7-16(15)31-22/h4-8,19H,10,24H2,1-3H3/t19-/m1/s1