ethyl 2-cyano-4-(4-dimethylaminophenyl)-4-(2-sulfanylidene-1,3-benzothiazol-3-yl)butanoate

Systemtic Name: ethyl 2-cyano-4-(4-dimethylaminophenyl)-4-(2-sulfanylidene-1,3-benzothiazol-3-yl)butanoate Openeye Name: ethyl 2-cyano-4-(4-dimethylaminophenyl)-4-(2-thioxo-1,3-benzothiazol-3-yl)butanoate CAS Name: 2-cyano-4-(4-dimethylaminophenyl)-4-(2-sulfanylidene-1,3-benzothiazol-3-yl)butanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-4-(4-dimethylaminophenyl)-4-(2-sulfanylidene-1,3-benzothiazol-3-yl)butanoate Traditional Name: 2-cyano-4-(4-dimethylaminophenyl)-4-(2-thioxo-1,3-benzothiazol-3-yl)butyric acid ethyl ester Formula: C22H23N3O2S2 MolecularWeight: 425.56692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C1=CC=C(C=C1)N(C)C)N2C3=CC=CC=C3SC2=S)C#N

Isomeric SMILES

CCOC(=O)C(CC(C1=CC=C(C=C1)N(C)C)N2C3=CC=CC=C3SC2=S)C#N

InChI

InChI=1S/C22H23N3O2S2/c1-4-27-21(26)16(14-23)13-19(15-9-11-17(12-10-15)24(2)3)25-18-7-5-6-8-20(18)29-22(25)28/h5-12,16,19H,4,13H2,1-3H3