methyl 2-[(3-methylphenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-methylphenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(3-methylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-methylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(m-toluoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OC

InChI

InChI=1S/C19H21NO3S/c1-12-7-6-8-13(11-12)17(21)20-18-16(19(22)23-2)14-9-4-3-5-10-15(14)24-18/h6-8,11H,3-5,9-10H2,1-2H3,(H,20,21)