methyl 3-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-(4H-3,1-benzothiazin-2-ylthio)-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-(4H-3,1-benzothiazin-2-ylthio)acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C16H14N2O3S3 MolecularWeight: 378.48896

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CSC2=NC3=CC=CC=C3CS2

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CSC2=NC3=CC=CC=C3CS2

InChI

InChI=1S/C16H14N2O3S3/c1-21-15(20)14-12(6-7-22-14)17-13(19)9-24-16-18-11-5-3-2-4-10(11)8-23-16/h2-7H,8-9H2,1H3,(H,17,19)