methyl (2R)-2-[[(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(E)-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)acryloyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=CC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C/C(=O)N[C@H](CCSC)C(=O)OC

InChI

InChI=1S/C18H26N2O3S/c1-12-11-14(13(2)20(12)15-6-7-15)5-8-17(21)19-16(9-10-24-4)18(22)23-3/h5,8,11,15-16H,6-7,9-10H2,1-4H3,(H,19,21)/b8-5+/t16-/m1/s1