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

Systemtic Name: methyl 4-[2-[4-(4-methoxyphenyl)sulfanylbutanoylamino]-1,3-thiazol-4-yl]benzoate Openeye Name: methyl 4-[2-[4-(4-methoxyphenyl)sulfanylbutanoylamino]thiazol-4-yl]benzoate CAS Name: 4-[2-[[4-[(4-methoxyphenyl)thio]-1-oxobutyl]amino]-4-thiazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[4-(4-methoxyphenyl)sulfanylbutanoylamino]-1,3-thiazol-4-yl]benzoate Traditional Name: 4-[2-[4-[(4-methoxyphenyl)thio]butanoylamino]thiazol-4-yl]benzoic acid methyl ester Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)SCCCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H22N2O4S2/c1-27-17-9-11-18(12-10-17)29-13-3-4-20(25)24-22-23-19(14-30-22)15-5-7-16(8-6-15)21(26)28-2/h5-12,14H,3-4,13H2,1-2H3,(H,23,24,25)