ethyl (2S)-2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl (2S)-2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl (2S)-2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanoate CAS Name: (2S)-2-[[5-(3-indolylidene)-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanoate Traditional Name: (2S)-2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]thio]-3-keto-butyric acid ethyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)SC1=NNC(=C2C=NC3=CC=CC=C32)N1CCOC

Isomeric SMILES

CCOC(=O)[C@H](C(=O)C)SC1=NNC(=C2C=NC3=CC=CC=C32)N1CCOC

InChI

InChI=1S/C19H22N4O4S/c1-4-27-18(25)16(12(2)24)28-19-22-21-17(23(19)9-10-26-3)14-11-20-15-8-6-5-7-13(14)15/h5-8,11,16,21H,4,9-10H2,1-3H3/t16-/m0/s1