methyl 4-[2-(1,3-benzothiazol-2-yl)-2-oxidanylidene-ethyl]benzoate

Systemtic Name: methyl 4-[2-(1,3-benzothiazol-2-yl)-2-oxidanylidene-ethyl]benzoate Openeye Name: methyl 4-[2-(1,3-benzothiazol-2-yl)-2-oxo-ethyl]benzoate CAS Name: 4-[2-(1,3-benzothiazol-2-yl)-2-oxoethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(1,3-benzothiazol-2-yl)-2-oxoethyl]benzoate Traditional Name: 4-[2-(1,3-benzothiazol-2-yl)-2-keto-ethyl]benzoic acid methyl ester Formula: C17H13NO3S MolecularWeight: 311.35502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13NO3S/c1-21-17(20)12-8-6-11(7-9-12)10-14(19)16-18-13-4-2-3-5-15(13)22-16/h2-9H,10H2,1H3