(phenylmethyl) 5-methyl-2-[(E)-2-phenylsulfanylethenyl]indole-1-carboxylate

Systemtic Name: (phenylmethyl) 5-methyl-2-[(E)-2-phenylsulfanylethenyl]indole-1-carboxylate Openeye Name: benzyl 5-methyl-2-[(E)-2-phenylsulfanylvinyl]indole-1-carboxylate CAS Name: 5-methyl-2-[(E)-2-(phenylthio)ethenyl]-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-2-[(E)-2-phenylsulfanylethenyl]indole-1-carboxylate Traditional Name: 5-methyl-2-[(E)-2-(phenylthio)vinyl]indole-1-carboxylic acid benzyl ester Formula: C25H21NO2S MolecularWeight: 399.50474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2)C=CSC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2)/C=C/SC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H21NO2S/c1-19-12-13-24-21(16-19)17-22(14-15-29-23-10-6-3-7-11-23)26(24)25(27)28-18-20-8-4-2-5-9-20/h2-17H,18H2,1H3/b15-14+