[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 3-thiophen-2-ylpropanoate

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 3-thiophen-2-ylpropanoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 3-(2-thienyl)propanoate CAS Name: 3-thiophen-2-ylpropanoic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 3-thiophen-2-ylpropanoate Traditional Name: 3-(2-thienyl)propionic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C17H16N2O3S2 MolecularWeight: 360.45054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)CCC2=CC=CS2

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)CCC2=CC=CS2

InChI

InChI=1S/C17H16N2O3S2/c1-12-9-14(24-11-18)4-6-15(12)19-16(20)10-22-17(21)7-5-13-3-2-8-23-13/h2-4,6,8-9H,5,7,10H2,1H3,(H,19,20)