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

Systemtic Name: methyl 3-[(2-acetamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]benzoate Openeye Name: methyl 3-[(2-acetamido-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]benzoate CAS Name: 3-[[(2-acetamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-acetamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate Traditional Name: 3-[(2-acetamido-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]benzoic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC(=C3)C(=O)OC)NC(=O)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC(=C3)C(=O)OC)NC(=O)C

InChI

InChI=1S/C20H22N2O4S/c1-11-7-8-15-16(9-11)27-19(21-12(2)23)17(15)18(24)22-14-6-4-5-13(10-14)20(25)26-3/h4-6,10-11H,7-9H2,1-3H3,(H,21,23)(H,22,24)