methyl 4-methylsulfanyl-2-[[2-phenyl-4-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(thiazol-2-ylsulfanylmethyl)benzoyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[2-phenyl-4-[(2-thiazolylthio)methyl]phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(1,3-thiazol-2-ylsulfanylmethyl)benzoyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-[(thiazol-2-ylthio)methyl]benzoyl]amino]butyric acid methyl ester Formula: C23H24N2O3S3 MolecularWeight: 472.64326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)CSC2=NC=CS2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)CSC2=NC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C23H24N2O3S3/c1-28-22(27)20(10-12-29-2)25-21(26)18-9-8-16(15-31-23-24-11-13-30-23)14-19(18)17-6-4-3-5-7-17/h3-9,11,13-14,20H,10,12,15H2,1-2H3,(H,25,26)