[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 2-[2-(3-methoxyanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3-methoxyanilino)-2-oxoethyl]thio]benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(m-anisidino)ethyl]thio]benzoic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC(=O)NC3CC3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC(=O)NC3CC3

InChI

InChI=1S/C21H22N2O5S/c1-27-16-6-4-5-15(11-16)23-20(25)13-29-18-8-3-2-7-17(18)21(26)28-12-19(24)22-14-9-10-14/h2-8,11,14H,9-10,12-13H2,1H3,(H,22,24)(H,23,25)