ethyl 4-[2-[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O5S/c1-3-28-20(26)13-4-6-14(7-5-13)22-18(24)11-29-12-19(25)23-15-8-9-17(27-2)16(21)10-15/h4-10H,3,11-12H2,1-2H3,(H,22,24)(H,23,25)