methyl 2-[(2-azanyl-5-chloranyl-phenyl)-(1-methylpyrrol-2-yl)methyl]sulfanylethanoate

Systemtic Name: methyl 2-[(2-azanyl-5-chloranyl-phenyl)-(1-methylpyrrol-2-yl)methyl]sulfanylethanoate Openeye Name: methyl 2-[(2-amino-5-chloro-phenyl)-(1-methylpyrrol-2-yl)methyl]sulfanylacetate CAS Name: 2-[[(2-amino-5-chlorophenyl)-(1-methyl-2-pyrrolyl)methyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(2-amino-5-chlorophenyl)-(1-methylpyrrol-2-yl)methyl]sulfanylacetate Traditional Name: 2-[[(2-amino-5-chloro-phenyl)-(1-methylpyrrol-2-yl)methyl]thio]acetic acid methyl ester Formula: C15H17ClN2O2S MolecularWeight: 324.82568

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(C2=C(C=CC(=C2)Cl)N)SCC(=O)OC

Isomeric SMILES

CN1C=CC=C1C(C2=C(C=CC(=C2)Cl)N)SCC(=O)OC

InChI

InChI=1S/C15H17ClN2O2S/c1-18-7-3-4-13(18)15(21-9-14(19)20-2)11-8-10(16)5-6-12(11)17/h3-8,15H,9,17H2,1-2H3