[2-azanylidene-2-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-azanylidene-2-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-imino-2-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-imino-2-[4-methoxy-3-(1-pyrrolidinylmethyl)phenyl]ethyl] ester IUPAC Name: [2-imino-2-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-imino-2-[4-methoxy-3-(pyrrolidinomethyl)phenyl]ethyl] ester Formula: C23H23ClN2O3S MolecularWeight: 442.95832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=N)COC(=O)C2=C(C3=CC=CC=C3S2)Cl)CN4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=N)COC(=O)C2=C(C3=CC=CC=C3S2)Cl)CN4CCCC4

InChI

InChI=1S/C23H23ClN2O3S/c1-28-19-9-8-15(12-16(19)13-26-10-4-5-11-26)18(25)14-29-23(27)22-21(24)17-6-2-3-7-20(17)30-22/h2-3,6-9,12,25H,4-5,10-11,13-14H2,1H3