ethyl 6-(imidazo[4,5-c]pyridin-3-ylmethyl)-3-(3-methoxyphenyl)sulfanyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 6-(imidazo[4,5-c]pyridin-3-ylmethyl)-3-(3-methoxyphenyl)sulfanyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 6-(imidazo[4,5-c]pyridin-3-ylmethyl)-3-(3-methoxyphenyl)sulfanyl-benzothiophene-2-carboxylate CAS Name: 6-(3-imidazo[4,5-c]pyridinylmethyl)-3-[(3-methoxyphenyl)thio]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(imidazo[4,5-c]pyridin-3-ylmethyl)-3-(3-methoxyphenyl)sulfanyl-1-benzothiophene-2-carboxylate Traditional Name: 6-(imidazo[4,5-c]pyridin-3-ylmethyl)-3-[(3-methoxyphenyl)thio]benzothiophene-2-carboxylic acid ethyl ester Formula: C25H21N3O3S2 MolecularWeight: 475.58254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)CN3C=NC4=C3C=NC=C4)SC5=CC=CC(=C5)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)CN3C=NC4=C3C=NC=C4)SC5=CC=CC(=C5)OC

InChI

InChI=1S/C25H21N3O3S2/c1-3-31-25(29)24-23(32-18-6-4-5-17(12-18)30-2)19-8-7-16(11-22(19)33-24)14-28-15-27-20-9-10-26-13-21(20)28/h4-13,15H,3,14H2,1-2H3