2-[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethoxy]benzoic acid

Systemtic Name: 2-[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethoxy]benzoic acid Openeye Name: 2-[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethoxy]benzoic acid CAS Name: 2-[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethoxy]benzoic acid IUPAC Name: 2-[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethoxy]benzoic acid Traditional Name: 2-[2-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethoxy]benzoic acid Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H21NO6S/c1-2-26-20(25)17-13-8-4-6-10-15(13)28-18(17)21-16(22)11-27-14-9-5-3-7-12(14)19(23)24/h3,5,7,9H,2,4,6,8,10-11H2,1H3,(H,21,22)(H,23,24)