methyl 3-methoxy-4-[1-[5-[(1-propyl-2-sulfanylidene-pyrrolidin-3-yl)methyl]-1H-indol-3-yl]butyl]benzoate

Systemtic Name: methyl 3-methoxy-4-[1-[5-[(1-propyl-2-sulfanylidene-pyrrolidin-3-yl)methyl]-1H-indol-3-yl]butyl]benzoate Openeye Name: methyl 3-methoxy-4-[1-[5-[(1-propyl-2-thioxo-pyrrolidin-3-yl)methyl]-1H-indol-3-yl]butyl]benzoate CAS Name: 3-methoxy-4-[1-[5-[(1-propyl-2-sulfanylidene-3-pyrrolidinyl)methyl]-1H-indol-3-yl]butyl]benzoic acid methyl ester IUPAC Name: methyl 3-methoxy-4-[1-[5-[(1-propyl-2-sulfanylidenepyrrolidin-3-yl)methyl]-1H-indol-3-yl]butyl]benzoate Traditional Name: 3-methoxy-4-[1-[5-[(1-propyl-2-thioxo-pyrrolidin-3-yl)methyl]-1H-indol-3-yl]butyl]benzoic acid methyl ester Formula: C29H36N2O3S MolecularWeight: 492.67274

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C=C(C=C1)C(=O)OC)OC)C2=CNC3=C2C=C(C=C3)CC4CCN(C4=S)CCC

Isomeric SMILES

CCCC(C1=C(C=C(C=C1)C(=O)OC)OC)C2=CNC3=C2C=C(C=C3)CC4CCN(C4=S)CCC

InChI

InChI=1S/C29H36N2O3S/c1-5-7-22(23-10-9-21(29(32)34-4)17-27(23)33-3)25-18-30-26-11-8-19(16-24(25)26)15-20-12-14-31(13-6-2)28(20)35/h8-11,16-18,20,22,30H,5-7,12-15H2,1-4H3