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

Systemtic Name: propyl 2-[(3-methoxyphenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: propyl 2-[(3-methoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(3-methoxyphenyl)-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-[(3-methoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(m-anisoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid propyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H25NO4S/c1-3-12-26-21(24)18-16-10-5-4-6-11-17(16)27-20(18)22-19(23)14-8-7-9-15(13-14)25-2/h7-9,13H,3-6,10-12H2,1-2H3,(H,22,23)