[2-oxidanylidene-2-(4-propylphenyl)ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(4-propylphenyl)ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: [2-oxo-2-(4-propylphenyl)ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-2-propenoic acid [2-oxo-2-(4-propylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propylphenyl)ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)acrylic acid [2-keto-2-(4-propylphenyl)ethyl] ester Formula: C21H19NO3S MolecularWeight: 365.44546

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)COC(=O)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H19NO3S/c1-2-5-15-8-10-16(11-9-15)18(23)14-25-21(24)13-12-20-22-17-6-3-4-7-19(17)26-20/h3-4,6-13H,2,5,14H2,1H3/b13-12+