[2-[(4-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate

Systemtic Name: [2-[(4-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [2-oxo-2-(4-sec-butylanilino)ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid [2-(4-butan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butan-2-ylanilino)-2-oxoethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid [2-keto-2-(4-sec-butylanilino)ethyl] ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C=CC2=CC=C(C=C2)SC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)SC

InChI

InChI=1S/C22H25NO3S/c1-4-16(2)18-8-10-19(11-9-18)23-21(24)15-26-22(25)14-7-17-5-12-20(27-3)13-6-17/h5-14,16H,4,15H2,1-3H3,(H,23,24)/b14-7+