[1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate

Systemtic Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate CAS Name: 3-(4-methoxyphenyl)propanoic acid [1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate Traditional Name: 3-(4-methoxyphenyl)propionic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)CCC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)CCC2=CC=C(C=C2)OC

InChI

InChI=1S/C18H18N2O4S/c1-12(17(22)20-18-14(11-19)9-10-25-18)24-16(21)8-5-13-3-6-15(23-2)7-4-13/h3-4,6-7,9-10,12H,5,8H2,1-2H3,(H,20,22)