[(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylbenzoate

Systemtic Name: [(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylbenzoate Openeye Name: [(1S)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid [(2S)-1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid [(1S)-2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C15H12N2O4S MolecularWeight: 316.33178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)C2=CC=C(C=C2)O

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CS1)C#N)OC(=O)C2=CC=C(C=C2)O

InChI

InChI=1S/C15H12N2O4S/c1-9(13(19)17-14-11(8-16)6-7-22-14)21-15(20)10-2-4-12(18)5-3-10/h2-7,9,18H,1H3,(H,17,19)/t9-/m0/s1