[(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 4-methyl-2-oxidanyl-benzoate

Systemtic Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 4-methyl-2-oxidanyl-benzoate Openeye Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl] 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic acid [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl] 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid [(3Z)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl] ester Formula: C20H16N2O4S MolecularWeight: 380.41704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OCC(=O)C(=C2N(C3=CC=CC=C3S2)C)C#N)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC(=O)/C(=C\2/N(C3=CC=CC=C3S2)C)/C#N)O

InChI

InChI=1S/C20H16N2O4S/c1-12-7-8-13(16(23)9-12)20(25)26-11-17(24)14(10-21)19-22(2)15-5-3-4-6-18(15)27-19/h3-9,23H,11H2,1-2H3/b19-14-