ethyl 2-(diethylaminomethyl)-4-(3,4-dimethoxyphenyl)-[1]benzothiolo[2,3-b]pyridine-3-carboxylate

Systemtic Name: ethyl 2-(diethylaminomethyl)-4-(3,4-dimethoxyphenyl)-[1]benzothiolo[2,3-b]pyridine-3-carboxylate Openeye Name: ethyl 2-(diethylaminomethyl)-4-(3,4-dimethoxyphenyl)benzothiopheno[2,3-b]pyridine-3-carboxylate CAS Name: 2-(diethylaminomethyl)-4-(3,4-dimethoxyphenyl)-[1]benzothiolo[2,3-b]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(diethylaminomethyl)-4-(3,4-dimethoxyphenyl)-[1]benzothiolo[2,3-b]pyridine-3-carboxylate Traditional Name: 2-(diethylaminomethyl)-4-(3,4-dimethoxyphenyl)benzothiopheno[2,3-b]pyridine-3-carboxylic acid ethyl ester Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C(=C2C3=CC=CC=C3SC2=N1)C4=CC(=C(C=C4)OC)OC)C(=O)OCC

Isomeric SMILES

CCN(CC)CC1=C(C(=C2C3=CC=CC=C3SC2=N1)C4=CC(=C(C=C4)OC)OC)C(=O)OCC

InChI

InChI=1S/C27H30N2O4S/c1-6-29(7-2)16-19-25(27(30)33-8-3)23(17-13-14-20(31-4)21(15-17)32-5)24-18-11-9-10-12-22(18)34-26(24)28-19/h9-15H,6-8,16H2,1-5H3