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

Systemtic Name: methyl 4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanoate Openeye Name: methyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanoate CAS Name: 4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanoate Traditional Name: 4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyric acid methyl ester Formula: C14H13N5O3S2 MolecularWeight: 363.41472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5O3S2/c1-22-12(21)10(9(20)6-23-14-19-18-13(15)24-14)11-16-7-4-2-3-5-8(7)17-11/h2-5,16-17H,6H2,1H3,(H2,15,18)