1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-ethanone

Systemtic Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-ethanone Openeye Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-ethanone CAS Name: 1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-[[(1R)-1-(3-nitrophenyl)ethyl]thio]ethanone IUPAC Name: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanylethanone Traditional Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[[(1R)-1-(3-nitrophenyl)ethyl]thio]ethanone Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CSC(C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CS[C@H](C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O3S/c1-12-9-18(13(2)20(12)16-7-8-16)19(22)11-25-14(3)15-5-4-6-17(10-15)21(23)24/h4-6,9-10,14,16H,7-8,11H2,1-3H3/t14-/m1/s1