[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3=C(C=C(C=C3)SC)OC

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3=C(C=C(C=C3)SC)OC

InChI

InChI=1S/C21H21NO4S/c1-4-13-6-5-7-15-17(11-22-20(13)15)18(23)12-26-21(24)16-9-8-14(27-3)10-19(16)25-2/h5-11,22H,4,12H2,1-3H3