[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C20H21NO3S/c22-19(21-15-10-11-15)18(13-6-2-1-3-7-13)24-20(23)17-12-14-8-4-5-9-16(14)25-17/h1-3,6-7,12,15,18H,4-5,8-11H2,(H,21,22)