ethyl 1-butyl-2-methyl-5-oxidanyl-4-(phenylsulfanylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 1-butyl-2-methyl-5-oxidanyl-4-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-butyl-5-hydroxy-2-methyl-4-(phenylsulfanylmethyl)indole-3-carboxylate CAS Name: 1-butyl-5-hydroxy-2-methyl-4-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-butyl-5-hydroxy-2-methyl-4-(phenylsulfanylmethyl)indole-3-carboxylate Traditional Name: 1-butyl-5-hydroxy-2-methyl-4-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C1C=CC(=C2CSC3=CC=CC=C3)O)C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=C(C2=C1C=CC(=C2CSC3=CC=CC=C3)O)C(=O)OCC)C

InChI

InChI=1S/C23H27NO3S/c1-4-6-14-24-16(3)21(23(26)27-5-2)22-18(20(25)13-12-19(22)24)15-28-17-10-8-7-9-11-17/h7-13,25H,4-6,14-15H2,1-3H3