methyl 3-[(4-oxidanylidene-2,3-dihydrothiochromen-8-yl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-oxidanylidene-2,3-dihydrothiochromen-8-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(4-oxothiochromane-8-carbonyl)amino]thiophene-2-carboxylate CAS Name: 3-[[oxo-(4-oxo-2,3-dihydro-1-benzothiopyran-8-yl)methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-oxo-2,3-dihydrothiochromene-8-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(4-ketothiochroman-8-carbonyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C16H13NO4S2 MolecularWeight: 347.40872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C2=CC=CC3=C2SCCC3=O

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C2=CC=CC3=C2SCCC3=O

InChI

InChI=1S/C16H13NO4S2/c1-21-16(20)14-11(5-7-23-14)17-15(19)10-4-2-3-9-12(18)6-8-22-13(9)10/h2-5,7H,6,8H2,1H3,(H,17,19)