ethyl (E)-3-(benzo[e][1,3]benzothiazol-2-ylamino)-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-(benzo[e][1,3]benzothiazol-2-ylamino)-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-(benzo[e][1,3]benzothiazol-2-ylamino)-2-cyano-prop-2-enoate CAS Name: (E)-3-(2-benzo[e][1,3]benzothiazolylamino)-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(benzo[e][1,3]benzothiazol-2-ylamino)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(benzo[e][1,3]benzothiazol-2-ylamino)-2-cyano-acrylic acid ethyl ester Formula: C17H13N3O2S MolecularWeight: 323.36902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=NC2=C(S1)C=CC3=CC=CC=C32)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=NC2=C(S1)C=CC3=CC=CC=C32)/C#N

InChI

InChI=1S/C17H13N3O2S/c1-2-22-16(21)12(9-18)10-19-17-20-15-13-6-4-3-5-11(13)7-8-14(15)23-17/h3-8,10H,2H2,1H3,(H,19,20)/b12-10+