[2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)ethanoate

Systemtic Name: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)ethanoate Openeye Name: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-(4-methyl-2-oxo-thiazol-3-yl)acetate CAS Name: 2-(4-methyl-2-oxo-3-thiazolyl)acetic acid [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate Traditional Name: 2-(2-keto-4-methyl-4-thiazolin-3-yl)acetic acid [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)COC(=O)CN2C(=CSC2=O)C)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)COC(=O)CN2C(=CSC2=O)C)C)SC#N

InChI

InChI=1S/C17H17N3O4S2/c1-10-4-13(26-9-18)5-11(2)16(10)19-14(21)7-24-15(22)6-20-12(3)8-25-17(20)23/h4-5,8H,6-7H2,1-3H3,(H,19,21)