dimethyl 5-azanyl-3-(4H-3,1-benzothiazin-2-ylsulfanylmethyl)thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-(4H-3,1-benzothiazin-2-ylsulfanylmethyl)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-(4H-3,1-benzothiazin-2-ylsulfanylmethyl)thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[(4H-3,1-benzothiazin-2-ylthio)methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-(4H-3,1-benzothiazin-2-ylsulfanylmethyl)thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(4H-3,1-benzothiazin-2-ylthio)methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H16N2O4S3 MolecularWeight: 408.51494

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=NC3=CC=CC=C3CS2)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=NC3=CC=CC=C3CS2)C(=O)OC)N

InChI

InChI=1S/C17H16N2O4S3/c1-22-15(20)12-10(13(16(21)23-2)26-14(12)18)8-25-17-19-11-6-4-3-5-9(11)7-24-17/h3-6H,7-8,18H2,1-2H3