[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate

Systemtic Name: [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate Openeye Name: [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxo-ethyl] 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [2-[cyclopropyl(p-anisyl)amino]-2-keto-ethyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(C2CC2)C(=O)COC(=O)C3=CC=CC=C3SC

Isomeric SMILES

COC1=CC=C(C=C1)CN(C2CC2)C(=O)COC(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C21H23NO4S/c1-25-17-11-7-15(8-12-17)13-22(16-9-10-16)20(23)14-26-21(24)18-5-3-4-6-19(18)27-2/h3-8,11-12,16H,9-10,13-14H2,1-2H3