ethyl 2-[[2-(4-cyanophenyl)carbonylimino-3,4-dimethyl-1,3-benzothiazol-7-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[2-(4-cyanophenyl)carbonylimino-3,4-dimethyl-1,3-benzothiazol-7-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[2-(4-cyanobenzoyl)imino-3,4-dimethyl-1,3-benzothiazol-7-yl]sulfanyl]acetate CAS Name: 2-[[2-[(4-cyanophenyl)-oxomethyl]imino-3,4-dimethyl-1,3-benzothiazol-7-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-cyanobenzoyl)imino-3,4-dimethyl-1,3-benzothiazol-7-yl]sulfanyl]acetate Traditional Name: 2-[[2-(4-cyanobenzoyl)imino-3,4-dimethyl-1,3-benzothiazol-7-yl]thio]acetic acid ethyl ester Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C2C(=C(C=C1)C)N(C(=NC(=O)C3=CC=C(C=C3)C#N)S2)C

Isomeric SMILES

CCOC(=O)CSC1=C2C(=C(C=C1)C)N(C(=NC(=O)C3=CC=C(C=C3)C#N)S2)C

InChI

InChI=1S/C21H19N3O3S2/c1-4-27-17(25)12-28-16-10-5-13(2)18-19(16)29-21(24(18)3)23-20(26)15-8-6-14(11-22)7-9-15/h5-10H,4,12H2,1-3H3