[5-phenylsulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl ethanoate

Systemtic Name: [5-phenylsulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl ethanoate Openeye Name: [4-isopropyl-5-phenylsulfanyl-1-(4-pyridylmethyl)pyrrol-3-yl]methyl acetate CAS Name: acetic acid [5-(phenylthio)-4-propan-2-yl-1-(pyridin-4-ylmethyl)-3-pyrrolyl]methyl ester IUPAC Name: [5-phenylsulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl acetate Traditional Name: acetic acid [4-isopropyl-5-(phenylthio)-1-(4-pyridylmethyl)pyrrol-3-yl]methyl ester Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(C=C1COC(=O)C)CC2=CC=NC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(N(C=C1COC(=O)C)CC2=CC=NC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O2S/c1-16(2)21-19(15-26-17(3)25)14-24(13-18-9-11-23-12-10-18)22(21)27-20-7-5-4-6-8-20/h4-12,14,16H,13,15H2,1-3H3