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

Systemtic Name: propan-2-yl 2-[(3-methylphenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C21H25NO3S MolecularWeight: 371.4931

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3S/c1-13(2)25-21(24)18-16-10-5-4-6-11-17(16)26-20(18)22-19(23)15-9-7-8-14(3)12-15/h7-9,12-13H,4-6,10-11H2,1-3H3,(H,22,23)