2-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[(3-methoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]benzoic acid CAS Name: 2-[[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[(3-carbomethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]benzoic acid Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H17NO5S/c1-24-18(23)14-12-8-4-5-9-13(12)25-16(14)19-15(20)10-6-2-3-7-11(10)17(21)22/h2-3,6-7H,4-5,8-9H2,1H3,(H,19,20)(H,21,22)