(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CSC(=N1)C2=CSC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)OCC1=CSC(=N1)C2=CSC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S2/c1-14(2)18(23-21(25)27-10-15-6-4-3-5-7-15)20(24)26-11-17-13-29-19(22-17)16-8-9-28-12-16/h3-9,12-14,18H,10-11H2,1-2H3,(H,23,25)