(phenylmethyl) 1-(2-ethylsulfanylethyl)-2-methyl-5-oxidanyl-benzo[g]indole-3-carboxylate

Systemtic Name: (phenylmethyl) 1-(2-ethylsulfanylethyl)-2-methyl-5-oxidanyl-benzo[g]indole-3-carboxylate Openeye Name: benzyl 1-(2-ethylsulfanylethyl)-5-hydroxy-2-methyl-benzo[g]indole-3-carboxylate CAS Name: 1-[2-(ethylthio)ethyl]-5-hydroxy-2-methyl-3-benzo[g]indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(2-ethylsulfanylethyl)-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate Traditional Name: 1-[2-(ethylthio)ethyl]-5-hydroxy-2-methyl-benz[g]indole-3-carboxylic acid benzyl ester Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCN1C(=C(C2=C1C3=CC=CC=C3C(=C2)O)C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CCSCCN1C(=C(C2=C1C3=CC=CC=C3C(=C2)O)C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C25H25NO3S/c1-3-30-14-13-26-17(2)23(25(28)29-16-18-9-5-4-6-10-18)21-15-22(27)19-11-7-8-12-20(19)24(21)26/h4-12,15,27H,3,13-14,16H2,1-2H3