phenyl 4-(methoxymethyl)-6-methyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: phenyl 4-(methoxymethyl)-6-methyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: phenyl 4-(methoxymethyl)-6-methyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 4-(methoxymethyl)-6-methyl-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 4-(methoxymethyl)-6-methyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylic acid phenyl ester Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C1)COC)C(=C(S2)C(=O)OC3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CC1=NC2=C(C(=C1)COC)C(=C(S2)C(=O)OC3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C21H18N2O3S/c1-14-12-15(13-25-2)17-18(23-10-6-7-11-23)19(27-20(17)22-14)21(24)26-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3