[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl] 1-benzothiophene-2-carboxylate

Systemtic Name: [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl] 1-benzothiophene-2-carboxylate Openeye Name: [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxo-ethyl] benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic acid [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid [2-[cyclopropyl(p-anisyl)amino]-2-keto-ethyl] ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(C2CC2)C(=O)COC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)CN(C2CC2)C(=O)COC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C22H21NO4S/c1-26-18-10-6-15(7-11-18)13-23(17-8-9-17)21(24)14-27-22(25)20-12-16-4-2-3-5-19(16)28-20/h2-7,10-12,17H,8-9,13-14H2,1H3