ethyl 2-[(3-methoxyphenyl)carbonylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-methoxyphenyl)carbonylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3-methoxybenzoyl)amino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3-methoxyphenyl)-oxomethyl]amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-methoxybenzoyl)amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(m-anisoylamino)-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C20H23NO4S/c1-4-25-20(23)17-16-12(2)7-5-10-15(16)26-19(17)21-18(22)13-8-6-9-14(11-13)24-3/h6,8-9,11-12H,4-5,7,10H2,1-3H3,(H,21,22)