ethyl 4-[2-[3-[(3-chlorophenyl)amino]-3-oxidanylidene-propyl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-[(3-chlorophenyl)amino]-3-oxidanylidene-propyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-(3-chloroanilino)-3-oxo-propyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-(3-chloroanilino)-3-oxopropyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-(3-chloroanilino)-3-oxopropyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(3-chloroanilino)-3-keto-propyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCCC(=O)NC2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCCC(=O)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C20H21ClN2O4S/c1-2-27-20(26)14-6-8-16(9-7-14)22-19(25)13-28-11-10-18(24)23-17-5-3-4-15(21)12-17/h3-9,12H,2,10-11,13H2,1H3,(H,22,25)(H,23,24)