methyl 3-azanyl-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-azanyl-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-amino-6-(2-methoxy-2-oxo-ethyl)sulfanyl-benzothiophene-2-carboxylate CAS Name: 3-amino-6-[(2-methoxy-2-oxoethyl)thio]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-amino-6-(2-methoxy-2-oxoethyl)sulfanyl-1-benzothiophene-2-carboxylate Traditional Name: 3-amino-6-[(2-keto-2-methoxy-ethyl)thio]benzothiophene-2-carboxylic acid methyl ester Formula: C13H13NO4S2 MolecularWeight: 311.37662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)N

Isomeric SMILES

COC(=O)CSC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)N

InChI

InChI=1S/C13H13NO4S2/c1-17-10(15)6-19-7-3-4-8-9(5-7)20-12(11(8)14)13(16)18-2/h3-5H,6,14H2,1-2H3