methyl 4-[[2-[(1-cyanocyclopropyl)carbonylamino]phenyl]amino]-2,5-dihydrothiophene-3-carboxylate

Systemtic Name: methyl 4-[[2-[(1-cyanocyclopropyl)carbonylamino]phenyl]amino]-2,5-dihydrothiophene-3-carboxylate Openeye Name: methyl 4-[2-[(1-cyanocyclopropanecarbonyl)amino]anilino]-2,5-dihydrothiophene-3-carboxylate CAS Name: 4-[2-[[(1-cyanocyclopropyl)-oxomethyl]amino]anilino]-2,5-dihydrothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-[(1-cyanocyclopropanecarbonyl)amino]anilino]-2,5-dihydrothiophene-3-carboxylate Traditional Name: 4-[2-[(1-cyanocyclopropanecarbonyl)amino]anilino]-2,5-dihydrothiophene-3-carboxylic acid methyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CSC1)NC2=CC=CC=C2NC(=O)C3(CC3)C#N

Isomeric SMILES

COC(=O)C1=C(CSC1)NC2=CC=CC=C2NC(=O)C3(CC3)C#N

InChI

InChI=1S/C17H17N3O3S/c1-23-15(21)11-8-24-9-14(11)19-12-4-2-3-5-13(12)20-16(22)17(10-18)6-7-17/h2-5,19H,6-9H2,1H3,(H,20,22)