[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(aminocarbonylamino)benzoate

Systemtic Name: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(aminocarbonylamino)benzoate Openeye Name: [(1R)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 3-ureidobenzoate CAS Name: 3-(carbamoylamino)benzoic acid [(2R)-1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(carbamoylamino)benzoate Traditional Name: 3-ureidobenzoic acid [(1R)-2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O4S/c1-9(13(21)20-14-11(8-17)5-6-25-14)24-15(22)10-3-2-4-12(7-10)19-16(18)23/h2-7,9H,1H3,(H,20,21)(H3,18,19,23)/t9-/m1/s1