ethyl 2-[2-(2-azanyl-1-cyano-2-oxidanylidene-ethylidene)-3-(4-chlorophenyl)-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-(2-azanyl-1-cyano-2-oxidanylidene-ethylidene)-3-(4-chlorophenyl)-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-(2-amino-1-cyano-2-oxo-ethylidene)-3-(4-chlorophenyl)thiazol-4-yl]acetate CAS Name: 2-[2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-chlorophenyl)-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-(2-amino-1-cyano-2-keto-ethylidene)-3-(4-chlorophenyl)-4-thiazolin-4-yl]acetic acid ethyl ester Formula: C16H14ClN3O3S MolecularWeight: 363.81866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=C(C#N)C(=O)N)N1C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)CC1=CSC(=C(C#N)C(=O)N)N1C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H14ClN3O3S/c1-2-23-14(21)7-12-9-24-16(13(8-18)15(19)22)20(12)11-5-3-10(17)4-6-11/h3-6,9H,2,7H2,1H3,(H2,19,22)