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

Systemtic Name: 7-[ethoxycarbonyl(phenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-5,6-dicarboxylic acid Openeye Name: 7-(N-ethoxycarbonylanilino)-4,5,6,7-tetrahydrobenzothiophene-5,6-dicarboxylic acid CAS Name: 7-(N-ethoxycarbonylanilino)-4,5,6,7-tetrahydro-1-benzothiophene-5,6-dicarboxylic acid IUPAC Name: 7-(N-ethoxycarbonylanilino)-4,5,6,7-tetrahydro-1-benzothiophene-5,6-dicarboxylic acid Traditional Name: 7-(N-carbethoxyanilino)-4,5,6,7-tetrahydrobenzothiophene-5,6-dicarboxylic acid Formula: C19H19NO6S MolecularWeight: 389.42226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(C1C(C(CC2=C1SC=C2)C(=O)O)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N(C1C(C(CC2=C1SC=C2)C(=O)O)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C19H19NO6S/c1-2-26-19(25)20(12-6-4-3-5-7-12)15-14(18(23)24)13(17(21)22)10-11-8-9-27-16(11)15/h3-9,13-15H,2,10H2,1H3,(H,21,22)(H,23,24)