ethyl (E)-2-cyano-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)prop-2-enoate CAS Name: (E)-2-cyano-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)acrylic acid ethyl ester Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=NC2=C(S1)CCCC2)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=NC2=C(S1)CCCC2)/C#N

InChI

InChI=1S/C13H15N3O2S/c1-2-18-12(17)9(7-14)8-15-13-16-10-5-3-4-6-11(10)19-13/h8H,2-6H2,1H3,(H,15,16)/b9-8+