methyl 3-[3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-3-(3-oxo-1,4-benzothiazin-4-yl)propyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]thiophene-2-carboxylate Traditional Name: 3-[3-(3-keto-1,4-benzothiazin-4-yl)propanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C17H16N2O4S2 MolecularWeight: 376.44994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CCN2C(=O)CSC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CCN2C(=O)CSC3=CC=CC=C32

InChI

InChI=1S/C17H16N2O4S2/c1-23-17(22)16-11(7-9-24-16)18-14(20)6-8-19-12-4-2-3-5-13(12)25-10-15(19)21/h2-5,7,9H,6,8,10H2,1H3,(H,18,20)