[2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(5-methylthiophen-2-yl)carbonylamino]ethanoate

Systemtic Name: [2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(5-methylthiophen-2-yl)carbonylamino]ethanoate Openeye Name: [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-oxo-ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(5-methyl-2-thiophenyl)-oxomethyl]amino]acetic acid [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(5-methylthiophene-2-carbonyl)amino]acetic acid [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CNC(=O)C2=CC=C(S2)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CNC(=O)C2=CC=C(S2)C

InChI

InChI=1S/C20H21N3O4S/c1-14-4-7-16(8-5-14)23(11-3-10-21)18(24)13-27-19(25)12-22-20(26)17-9-6-15(2)28-17/h4-9H,3,11-13H2,1-2H3,(H,22,26)