[2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-[(3-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)OCC(=O)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)OCC(=O)NCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H18ClNO3S/c19-13-5-3-4-12(8-13)9-20-17(21)10-23-18(22)15-11-24-16-7-2-1-6-14(15)16/h3-5,8,11H,1-2,6-7,9-10H2,(H,20,21)