[(2S)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: [(2S)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [(1S)-2-[(3-carbamoyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [(2S)-1-[(3-carbamoyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [(1S)-2-[(3-carbamoyl-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)C2=CC=C(C=C2)CN3C=CC=N3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)C2=CC=C(C=C2)CN3C=CC=N3

InChI

InChI=1S/C19H18N4O4S/c1-12(17(25)22-18-15(16(20)24)7-10-28-18)27-19(26)14-5-3-13(4-6-14)11-23-9-2-8-21-23/h2-10,12H,11H2,1H3,(H2,20,24)(H,22,25)/t12-/m0/s1