7-[methoxycarbonyl(phenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylic acid

Systemtic Name: 7-[methoxycarbonyl(phenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylic acid Openeye Name: 7-(N-methoxycarbonylanilino)-4,5,6,7-tetrahydrobenzothiophene-6-carboxylic acid CAS Name: 7-(N-methoxycarbonylanilino)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylic acid IUPAC Name: 7-(N-methoxycarbonylanilino)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylic acid Traditional Name: 7-(N-carbomethoxyanilino)-4,5,6,7-tetrahydrobenzothiophene-6-carboxylic acid Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N(C1C(CCC2=C1SC=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)N(C1C(CCC2=C1SC=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C17H17NO4S/c1-22-17(21)18(12-5-3-2-4-6-12)14-13(16(19)20)8-7-11-9-10-23-15(11)14/h2-6,9-10,13-14H,7-8H2,1H3,(H,19,20)