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

Systemtic Name: methyl 2-[(3,4-dimethylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(3,4-dimethylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3,4-dimethylphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3,4-dimethylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3,4-dimethylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C

InChI

InChI=1S/C19H21NO3S/c1-11-8-9-13(10-12(11)2)17(21)20-18-16(19(22)23-3)14-6-4-5-7-15(14)24-18/h8-10H,4-7H2,1-3H3,(H,20,21)