methyl 4-[(E)-3-(1,3-benzothiazol-2-yl)-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-(1,3-benzothiazol-2-yl)-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-(1,3-benzothiazol-2-yl)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-(1,3-benzothiazol-2-yl)-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-(1,3-benzothiazol-2-yl)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(1,3-benzothiazol-2-yl)-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C18H13NO3S MolecularWeight: 323.36572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13NO3S/c1-22-18(21)13-9-6-12(7-10-13)8-11-15(20)17-19-14-4-2-3-5-16(14)23-17/h2-11H,1H3/b11-8+