ethyl 4-[2-[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[2-(5-chloro-2-methyl-anilino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[2-(5-chloro-2-methyl-anilino)-2-keto-ethyl]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)CSCC(=O)NC2=C(C=CC(=C2)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O4S/c1-3-27-20(26)14-5-8-16(9-6-14)22-18(24)11-28-12-19(25)23-17-10-15(21)7-4-13(17)2/h4-10H,3,11-12H2,1-2H3,(H,22,24)(H,23,25)