[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-(1H-indol-3-yl)propanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-(1H-indol-3-yl)propanoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C21H21NO3S2 MolecularWeight: 399.52634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)CCC3=CNC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H21NO3S2/c1-24-19-12-14(21-26-10-11-27-21)6-8-18(19)25-20(23)9-7-15-13-22-17-5-3-2-4-16(15)17/h2-6,8,12-13,21-22H,7,9-11H2,1H3