(3-methoxycarbonylphenyl)methyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate

Systemtic Name: (3-methoxycarbonylphenyl)methyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: (3-methoxycarbonylphenyl)methyl 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid (3-methoxycarbonylphenyl)methyl ester IUPAC Name: (3-methoxycarbonylphenyl)methyl 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid (3-carbomethoxybenzyl) ester Formula: C21H23NO5S MolecularWeight: 401.47602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C21H23NO5S/c1-14(2)22-19(23)13-28-18-10-5-4-9-17(18)21(25)27-12-15-7-6-8-16(11-15)20(24)26-3/h4-11,14H,12-13H2,1-3H3,(H,22,23)