ethyl 5-acetyloxy-1-phenyl-2-(phenylsulfanylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-1-phenyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-1-phenyl-2-(phenylsulfanylmethyl)indole-3-carboxylate CAS Name: 5-acetyloxy-1-phenyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-1-phenyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Traditional Name: 5-acetoxy-1-phenyl-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C26H23NO4S MolecularWeight: 445.53012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(=O)C)C3=CC=CC=C3)CSC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(=O)C)C3=CC=CC=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C26H23NO4S/c1-3-30-26(29)25-22-16-20(31-18(2)28)14-15-23(22)27(19-10-6-4-7-11-19)24(25)17-32-21-12-8-5-9-13-21/h4-16H,3,17H2,1-2H3