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

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-2-propenoic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)acrylic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C18H12ClNO3S MolecularWeight: 357.81078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClNO3S/c19-13-7-5-12(6-8-13)15(21)11-23-18(22)10-9-17-20-14-3-1-2-4-16(14)24-17/h1-10H,11H2/b10-9+