[2-[[4-(2-methoxy-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[[4-(2-methoxy-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[[4-(2-methoxy-2-oxo-ethyl)thiazol-2-yl]amino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[[4-(2-methoxy-2-oxoethyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-2-[[4-(2-keto-2-methoxy-ethyl)thiazol-2-yl]amino]ethyl] ester Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CSC(=N1)NC(=O)COC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

COC(=O)CC1=CSC(=N1)NC(=O)COC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H13N3O5S/c1-23-14(21)6-12-9-25-16(18-12)19-13(20)8-24-15(22)11-4-2-10(7-17)3-5-11/h2-5,9H,6,8H2,1H3,(H,18,19,20)