methyl 4-[2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-1,3-thiazol-4-yl]benzoate

Systemtic Name: methyl 4-[2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-1,3-thiazol-4-yl]benzoate Openeye Name: methyl 4-[2-[4-(4-chlorophenyl)sulfanylbutanoylamino]thiazol-4-yl]benzoate CAS Name: 4-[2-[[4-[(4-chlorophenyl)thio]-1-oxobutyl]amino]-4-thiazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-1,3-thiazol-4-yl]benzoate Traditional Name: 4-[2-[4-[(4-chlorophenyl)thio]butanoylamino]thiazol-4-yl]benzoic acid methyl ester Formula: C21H19ClN2O3S2 MolecularWeight: 446.97016

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19ClN2O3S2/c1-27-20(26)15-6-4-14(5-7-15)18-13-29-21(23-18)24-19(25)3-2-12-28-17-10-8-16(22)9-11-17/h4-11,13H,2-3,12H2,1H3,(H,23,24,25)