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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1C(C=N2)(COC(=O)C3=CC=CC=C3C)OC)CC4CCN(C4=S)CCC

Isomeric SMILES

CCCC1=C(C=CC2=C1C(C=N2)(COC(=O)C3=CC=CC=C3C)OC)CC4CCN(C4=S)CCC

InChI

InChI=1S/C29H36N2O3S/c1-5-9-24-21(17-22-14-16-31(15-6-2)27(22)35)12-13-25-26(24)29(33-4,18-30-25)19-34-28(32)23-11-8-7-10-20(23)3/h7-8,10-13,18,22H,5-6,9,14-17,19H2,1-4H3