methyl 4-[[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[3-(methylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamoyl]benzoate CAS Name: 4-[[[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]benzoate Traditional Name: 4-[[3-(methylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamoyl]benzoic acid methyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H20N2O4S/c1-20-17(23)15-13-5-3-4-6-14(13)26-18(15)21-16(22)11-7-9-12(10-8-11)19(24)25-2/h7-10H,3-6H2,1-2H3,(H,20,23)(H,21,22)