methyl (4E)-4-(3H-1,3-benzothiazol-2-ylidene)-5-(4-methoxyphenyl)-5-oxidanylidene-pentanoate

Systemtic Name: methyl (4E)-4-(3H-1,3-benzothiazol-2-ylidene)-5-(4-methoxyphenyl)-5-oxidanylidene-pentanoate Openeye Name: methyl (4E)-4-(3H-1,3-benzothiazol-2-ylidene)-5-(4-methoxyphenyl)-5-oxo-pentanoate CAS Name: (4E)-4-(3H-1,3-benzothiazol-2-ylidene)-5-(4-methoxyphenyl)-5-oxopentanoic acid methyl ester IUPAC Name: methyl (4E)-4-(3H-1,3-benzothiazol-2-ylidene)-5-(4-methoxyphenyl)-5-oxopentanoate Traditional Name: (4E)-4-(3H-1,3-benzothiazol-2-ylidene)-5-keto-5-(4-methoxyphenyl)valeric acid methyl ester Formula: C20H19NO4S MolecularWeight: 369.43416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(=C2NC3=CC=CC=C3S2)CCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)/C(=C/2\NC3=CC=CC=C3S2)/CCC(=O)OC

InChI

InChI=1S/C20H19NO4S/c1-24-14-9-7-13(8-10-14)19(23)15(11-12-18(22)25-2)20-21-16-5-3-4-6-17(16)26-20/h3-10,21H,11-12H2,1-2H3/b20-15+