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

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanoate Openeye Name: methyl 4-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanoate CAS Name: 4-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanoate Traditional Name: 4-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyric acid methyl ester Formula: C20H17N5O3S2 MolecularWeight: 439.51068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O3S2/c1-28-18(27)16(17-22-13-9-5-6-10-14(13)23-17)15(26)11-29-20-25-24-19(30-20)21-12-7-3-2-4-8-12/h2-10,22-23H,11H2,1H3,(H,21,24)