methyl 4-[2-(3H-1,3-benzothiazol-2-ylidene)-2-cyano-ethanoyl]benzoate

Systemtic Name: methyl 4-[2-(3H-1,3-benzothiazol-2-ylidene)-2-cyano-ethanoyl]benzoate Openeye Name: methyl 4-[2-(3H-1,3-benzothiazol-2-ylidene)-2-cyano-acetyl]benzoate CAS Name: 4-[2-(3H-1,3-benzothiazol-2-ylidene)-2-cyano-1-oxoethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(3H-1,3-benzothiazol-2-ylidene)-2-cyanoacetyl]benzoate Traditional Name: 4-[2-(3H-1,3-benzothiazol-2-ylidene)-2-cyano-acetyl]benzoic acid methyl ester Formula: C18H12N2O3S MolecularWeight: 336.36448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)C(=C2NC3=CC=CC=C3S2)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)C(=C2NC3=CC=CC=C3S2)C#N

InChI

InChI=1S/C18H12N2O3S/c1-23-18(22)12-8-6-11(7-9-12)16(21)13(10-19)17-20-14-4-2-3-5-15(14)24-17/h2-9,20H,1H3