[(3R)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 2-[(5-methylthiophen-2-yl)carbonylamino]ethanoate

Systemtic Name: [(3R)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 2-[(5-methylthiophen-2-yl)carbonylamino]ethanoate Openeye Name: [(3R)-4-amino-3-cyano-2-oxo-pent-4-enyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(5-methyl-2-thiophenyl)-oxomethyl]amino]acetic acid [(3R)-4-amino-3-cyano-2-oxopent-4-enyl] ester IUPAC Name: [(3R)-4-amino-3-cyano-2-oxopent-4-enyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(5-methylthiophene-2-carbonyl)amino]acetic acid [(3R)-4-amino-3-cyano-2-keto-pent-4-enyl] ester Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O4S/c1-8-3-4-12(22-8)14(20)17-6-13(19)21-7-11(18)10(5-15)9(2)16/h3-4,10H,2,6-7,16H2,1H3,(H,17,20)/t10-/m0/s1