[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate Openeye Name: [2-(p-tolyl)thiazol-4-yl]methyl 3-[[4-oxo-4-(2-thienyl)butanoyl]amino]propanoate CAS Name: 3-[(1,4-dioxo-4-thiophen-2-ylbutyl)amino]propanoic acid [2-(4-methylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate Traditional Name: 3-[[4-keto-4-(2-thienyl)butanoyl]amino]propionic acid [2-(p-tolyl)thiazol-4-yl]methyl ester Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CCNC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CCNC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C22H22N2O4S2/c1-15-4-6-16(7-5-15)22-24-17(14-30-22)13-28-21(27)10-11-23-20(26)9-8-18(25)19-3-2-12-29-19/h2-7,12,14H,8-11,13H2,1H3,(H,23,26)