ethyl 4-[(5-ethoxycarbonyl-2-methyl-1H-pyrrol-3-yl)sulfanyl]-5-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[(5-ethoxycarbonyl-2-methyl-1H-pyrrol-3-yl)sulfanyl]-5-methyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[(5-ethoxycarbonyl-2-methyl-1H-pyrrol-3-yl)sulfanyl]-5-methyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(5-ethoxycarbonyl-2-methyl-1H-pyrrol-3-yl)thio]-5-methyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-ethoxycarbonyl-2-methyl-1H-pyrrol-3-yl)sulfanyl]-5-methyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(5-carbethoxy-2-methyl-1H-pyrrol-3-yl)thio]-5-methyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N1)C)SC2=C(NC(=C2)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(N1)C)SC2=C(NC(=C2)C(=O)OCC)C

InChI

InChI=1S/C16H20N2O4S/c1-5-21-15(19)11-7-13(9(3)17-11)23-14-8-12(18-10(14)4)16(20)22-6-2/h7-8,17-18H,5-6H2,1-4H3