2-[[2-[(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]hydrazinyl]-phenyl-methyl]sulfanylethanoic acid

Systemtic Name: 2-[[2-[(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]hydrazinyl]-phenyl-methyl]sulfanylethanoic acid Openeye Name: 2-[[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)hydrazino]-phenyl-methyl]sulfanylacetic acid CAS Name: 2-[[[[(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-oxomethyl]hydrazo]-phenylmethyl]thio]acetic acid IUPAC Name: 2-[[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)hydrazinyl]-phenylmethyl]sulfanylacetic acid Traditional Name: 2-[[[N'-(4-carbethoxy-3,5-dimethyl-1H-pyrrole-2-carbonyl)hydrazino]-phenyl-methyl]thio]acetic acid Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NNC(C2=CC=CC=C2)SCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NNC(C2=CC=CC=C2)SCC(=O)O)C

InChI

InChI=1S/C19H23N3O5S/c1-4-27-19(26)15-11(2)16(20-12(15)3)17(25)21-22-18(28-10-14(23)24)13-8-6-5-7-9-13/h5-9,18,20,22H,4,10H2,1-3H3,(H,21,25)(H,23,24)