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

Systemtic Name: ethyl 2-[2-[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl]sulfanylthiazol-4-yl]acetate CAS Name: 2-[2-[[2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl]thio]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl]thio]thiazol-4-yl]acetic acid ethyl ester Formula: C17H17N3O3S3 MolecularWeight: 407.53018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)SCC(=O)NC2=C(C=C(C=C2)SC#N)C

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)SCC(=O)NC2=C(C=C(C=C2)SC#N)C

InChI

InChI=1S/C17H17N3O3S3/c1-3-23-16(22)7-12-8-24-17(19-12)25-9-15(21)20-14-5-4-13(26-10-18)6-11(14)2/h4-6,8H,3,7,9H2,1-2H3,(H,20,21)