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

Systemtic Name: 3-methoxy-4-[1-[5-[(1-propyl-2-sulfanylidene-pyrrolidin-3-yl)methyl]-1H-indol-3-yl]butyl]benzoic acid Openeye Name: 3-methoxy-4-[1-[5-[(1-propyl-2-thioxo-pyrrolidin-3-yl)methyl]-1H-indol-3-yl]butyl]benzoic acid CAS Name: 3-methoxy-4-[1-[5-[(1-propyl-2-sulfanylidene-3-pyrrolidinyl)methyl]-1H-indol-3-yl]butyl]benzoic acid IUPAC Name: 3-methoxy-4-[1-[5-[(1-propyl-2-sulfanylidenepyrrolidin-3-yl)methyl]-1H-indol-3-yl]butyl]benzoic acid Traditional Name: 3-methoxy-4-[1-[5-[(1-propyl-2-thioxo-pyrrolidin-3-yl)methyl]-1H-indol-3-yl]butyl]benzoic acid Formula: C28H34N2O3S MolecularWeight: 478.64616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O3S/c1-4-6-21(22-9-8-20(28(31)32)16-26(22)33-3)24-17-29-25-10-7-18(15-23(24)25)14-19-11-13-30(12-5-2)27(19)34/h7-10,15-17,19,21,29H,4-6,11-14H2,1-3H3,(H,31,32)