(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C18H13N3O3S2 MolecularWeight: 383.44412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC2=CSC(=N2)C3=CSC=C3)NC(=O)CC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC2=CSC(=N2)C3=CSC=C3)NC(=O)CC#N

InChI

InChI=1S/C18H13N3O3S2/c19-7-5-16(22)20-14-3-1-12(2-4-14)18(23)24-9-15-11-26-17(21-15)13-6-8-25-10-13/h1-4,6,8,10-11H,5,9H2,(H,20,22)