phenyl 4-(3-sulfanyl-1H-indol-2-yl)butanoate

Systemtic Name: phenyl 4-(3-sulfanyl-1H-indol-2-yl)butanoate Openeye Name: phenyl 4-(3-sulfanyl-1H-indol-2-yl)butanoate CAS Name: 4-(3-mercapto-1H-indol-2-yl)butanoic acid phenyl ester IUPAC Name: phenyl 4-(3-sulfanyl-1H-indol-2-yl)butanoate Traditional Name: 4-(3-mercapto-1H-indol-2-yl)butyric acid phenyl ester Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)CCCC2=C(C3=CC=CC=C3N2)S

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)CCCC2=C(C3=CC=CC=C3N2)S

InChI

InChI=1S/C18H17NO2S/c20-17(21-13-7-2-1-3-8-13)12-6-11-16-18(22)14-9-4-5-10-15(14)19-16/h1-5,7-10,19,22H,6,11-12H2