[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(thiophen-3-ylcarbonylamino)propanoate

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(thiophen-3-ylcarbonylamino)propanoate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-(thiophene-3-carbonylamino)propanoate CAS Name: 3-[[oxo(3-thiophenyl)methyl]amino]propanoic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-(thiophene-3-carbonylamino)propanoate Traditional Name: 3-(3-thenoylamino)propionic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)CCNC(=O)C2=CSC=C2

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)CCNC(=O)C2=CSC=C2

InChI

InChI=1S/C18H17N3O4S/c1-12(17(23)21-15-5-3-2-4-13(15)10-19)25-16(22)6-8-20-18(24)14-7-9-26-11-14/h2-5,7,9,11-12H,6,8H2,1H3,(H,20,24)(H,21,23)