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

Systemtic Name: ethyl 2-methyl-5-oxidanyl-1-(phenylmethyl)-4-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-benzyl-5-hydroxy-2-methyl-4-(phenylsulfanylmethyl)indole-3-carboxylate CAS Name: 5-hydroxy-2-methyl-1-(phenylmethyl)-4-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-hydroxy-2-methyl-4-(phenylsulfanylmethyl)indole-3-carboxylate Traditional Name: 1-benzyl-5-hydroxy-2-methyl-4-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C26H25NO3S MolecularWeight: 431.5466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CSC3=CC=CC=C3)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CSC3=CC=CC=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H25NO3S/c1-3-30-26(29)24-18(2)27(16-19-10-6-4-7-11-19)22-14-15-23(28)21(25(22)24)17-31-20-12-8-5-9-13-20/h4-15,28H,3,16-17H2,1-2H3