[2-[(2-methoxyphenyl)carbonylamino]-2-oxidanylidene-ethyl] 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate

Systemtic Name: [2-[(2-methoxyphenyl)carbonylamino]-2-oxidanylidene-ethyl] 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate Openeye Name: [2-[(2-methoxybenzoyl)amino]-2-oxo-ethyl] 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate CAS Name: 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylic acid [2-[[(2-methoxyphenyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate Traditional Name: 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylic acid [2-keto-2-(o-anisoylamino)ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(=O)COC(=O)C2=CC3=C(S2)CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(=O)COC(=O)C2=CC3=C(S2)CCCCCC3

InChI

InChI=1S/C21H23NO5S/c1-26-16-10-7-6-9-15(16)20(24)22-19(23)13-27-21(25)18-12-14-8-4-2-3-5-11-17(14)28-18/h6-7,9-10,12H,2-5,8,11,13H2,1H3,(H,22,23,24)