[(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-azanyl-2-oxidanylidene-ethoxy)benzoate

Systemtic Name: [(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-azanyl-2-oxidanylidene-ethoxy)benzoate Openeye Name: [(1S)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 4-(2-amino-2-oxo-ethoxy)benzoate CAS Name: 4-(2-amino-2-oxoethoxy)benzoic 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-(2-amino-2-oxoethoxy)benzoate Traditional Name: 4-(2-amino-2-keto-ethoxy)benzoic acid [(1S)-2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H15N3O5S MolecularWeight: 373.3831

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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)OCC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O5S/c1-10(15(22)20-16-12(8-18)6-7-26-16)25-17(23)11-2-4-13(5-3-11)24-9-14(19)21/h2-7,10H,9H2,1H3,(H2,19,21)(H,20,22)/t10-/m0/s1