[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate

Systemtic Name: [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate Openeye Name: [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-acrylic acid [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C22H17N3O5S MolecularWeight: 435.45248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)COC(=O)C(=CC3=CC4=C(C=C3)OCO4)C#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)COC(=O)C(=CC3=CC4=C(C=C3)OCO4)C#N)C

InChI

InChI=1S/C22H17N3O5S/c1-12-5-13(2)20-18(6-12)31-22(25-20)24-19(26)10-28-21(27)15(9-23)7-14-3-4-16-17(8-14)30-11-29-16/h3-8H,10-11H2,1-2H3,(H,24,25,26)