O5-methyl O1-(phenylmethyl) 2-[(E)-2-phenylsulfanylethenyl]indole-1,5-dicarboxylate

Systemtic Name: O5-methyl O1-(phenylmethyl) 2-[(E)-2-phenylsulfanylethenyl]indole-1,5-dicarboxylate Openeye Name: O1-benzyl O5-methyl 2-[(E)-2-phenylsulfanylvinyl]indole-1,5-dicarboxylate CAS Name: 2-[(E)-2-(phenylthio)ethenyl]indole-1,5-dicarboxylic acid O5-methyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 5-O-methyl 2-[(E)-2-phenylsulfanylethenyl]indole-1,5-dicarboxylate Traditional Name: 2-[(E)-2-(phenylthio)vinyl]indole-1,5-dicarboxylic acid O1-benzyl ester O5-methyl ester Formula: C26H21NO4S MolecularWeight: 443.51424

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=C2)C=CSC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=C2)/C=C/SC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H21NO4S/c1-30-25(28)20-12-13-24-21(16-20)17-22(14-15-32-23-10-6-3-7-11-23)27(24)26(29)31-18-19-8-4-2-5-9-19/h2-17H,18H2,1H3/b15-14+