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

Systemtic Name: propan-2-yl 2-butyl-3-[4-[(E)-3-(dibutylamino)prop-1-enyl]phenyl]carbonyl-1-benzothiophene-5-carboxylate Openeye Name: isopropyl 2-butyl-3-[4-[(E)-3-(dibutylamino)prop-1-enyl]benzoyl]benzothiophene-5-carboxylate CAS Name: 2-butyl-3-[[4-[(E)-3-(dibutylamino)prop-1-enyl]phenyl]-oxomethyl]-1-benzothiophene-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-butyl-3-[4-[(E)-3-(dibutylamino)prop-1-enyl]benzoyl]-1-benzothiophene-5-carboxylate Traditional Name: 2-butyl-3-[4-[(E)-3-(dibutylamino)prop-1-enyl]benzoyl]benzothiophene-5-carboxylic acid isopropyl ester Formula: C34H45NO3S MolecularWeight: 547.791

Click to see the large picture

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)C=CCN(CCCC)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C34H45NO3S/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/h12-13,15-20,24-25H,6-11,14,21-23H2,1-5H3/b13-12+