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

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)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-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)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-(1H-pyrrol-2-yl)ethyl] ester Formula: C16H12N2O3S MolecularWeight: 312.34308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C=CC(=O)OCC(=O)C3=CC=CN3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C=C/C(=O)OCC(=O)C3=CC=CN3

InChI

InChI=1S/C16H12N2O3S/c19-13(11-5-3-9-17-11)10-21-16(20)8-7-15-18-12-4-1-2-6-14(12)22-15/h1-9,17H,10H2/b8-7+