[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethyl-3-thiophenyl)-4-oxobutanoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethyl-3-thienyl)-4-keto-butyric acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C16H18N2O4S/c1-9-6-12(11(3)23-9)14(19)4-5-16(21)22-8-15(20)13(7-17)10(2)18/h6,13,18H,4-5,8H2,1-3H3/t13-/m1/s1