ethyl (E)-3-(1,3-benzothiazol-2-ylamino)but-2-enoate

Systemtic Name: ethyl (E)-3-(1,3-benzothiazol-2-ylamino)but-2-enoate Openeye Name: ethyl (E)-3-(1,3-benzothiazol-2-ylamino)but-2-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-ylamino)-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(1,3-benzothiazol-2-ylamino)but-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-ylamino)but-2-enoic acid ethyl ester Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H14N2O2S/c1-3-17-12(16)8-9(2)14-13-15-10-6-4-5-7-11(10)18-13/h4-8H,3H2,1-2H3,(H,14,15)/b9-8+