methyl 4-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanoate Openeye Name: methyl 4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanoate CAS Name: 4-[(5-chloro-1,3-benzothiazol-2-yl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanoate Traditional Name: 4-[(5-chloro-1,3-benzothiazol-2-yl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyric acid methyl ester Formula: C19H14ClN3O3S2 MolecularWeight: 431.91576

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C19H14ClN3O3S2/c1-26-18(25)16(17-21-11-4-2-3-5-12(11)22-17)14(24)9-27-19-23-13-8-10(20)6-7-15(13)28-19/h2-8,21-22H,9H2,1H3