propan-2-yl 2-butyl-3-[4-[3-(dibutylamino)propyl]phenyl]carbonyl-1-benzothiophene-5-carboxylate

Systemtic Name: propan-2-yl 2-butyl-3-[4-[3-(dibutylamino)propyl]phenyl]carbonyl-1-benzothiophene-5-carboxylate Openeye Name: isopropyl 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]benzothiophene-5-carboxylate CAS Name: 2-butyl-3-[[4-[3-(dibutylamino)propyl]phenyl]-oxomethyl]-1-benzothiophene-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-1-benzothiophene-5-carboxylate Traditional Name: 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]benzothiophene-5-carboxylic acid isopropyl ester Formula: C34H47NO3S MolecularWeight: 549.80688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(S1)C=CC(=C2)C(=O)OC(C)C)C(=O)C3=CC=C(C=C3)CCCN(CCCC)CCCC

Isomeric SMILES

CCCCC1=C(C2=C(S1)C=CC(=C2)C(=O)OC(C)C)C(=O)C3=CC=C(C=C3)CCCN(CCCC)CCCC

InChI

InChI=1S/C34H47NO3S/c1-6-9-14-31-32(29-24-28(19-20-30(29)39-31)34(37)38-25(4)5)33(36)27-17-15-26(16-18-27)13-12-23-35(21-10-7-2)22-11-8-3/h15-20,24-25H,6-14,21-23H2,1-5H3