[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-propenoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=CC(=O)OCC(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C/C(=O)OCC(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O3S/c1-17-15-19(18(2)25(17)20-10-11-20)9-12-23(27)28-16-22(26)24-13-6-14-29-21-7-4-3-5-8-21/h3-5,7-9,12,15,20H,6,10-11,13-14,16H2,1-2H3,(H,24,26)/b12-9+