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

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

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H20N2O4S/c1-10-3-8-13-14(9-10)26-18(15(13)16(20)22)21-17(23)11-4-6-12(7-5-11)19(24)25-2/h4-7,10H,3,8-9H2,1-2H3,(H2,20,22)(H,21,23)