[2-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[(5-methyl-2-thienyl)methyl-phenethyl-amino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[(5-methyl-2-thiophenyl)methyl-phenethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(5-methylthiophen-2-yl)methyl-phenethylamino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-2-[(5-methyl-2-thienyl)methyl-phenethyl-amino]ethyl] ester Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H22N2O3S/c1-18-7-12-22(30-18)16-26(14-13-19-5-3-2-4-6-19)23(27)17-29-24(28)21-10-8-20(15-25)9-11-21/h2-12H,13-14,16-17H2,1H3