ethyl (E)-3-[2-(phenylsulfanylmethyl)-1-(phenylsulfonyl)indol-3-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[2-(phenylsulfanylmethyl)-1-(phenylsulfonyl)indol-3-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[1-(benzenesulfonyl)-2-(phenylsulfanylmethyl)indol-3-yl]prop-2-enoate CAS Name: (E)-3-[1-(benzenesulfonyl)-2-[(phenylthio)methyl]-3-indolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[1-(benzenesulfonyl)-2-(phenylsulfanylmethyl)indol-3-yl]prop-2-enoate Traditional Name: (E)-3-[1-besyl-2-[(phenylthio)methyl]indol-3-yl]acrylic acid ethyl ester Formula: C26H23NO4S2 MolecularWeight: 477.59512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=C(N(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)CSC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)/C=C/C1=C(N(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C26H23NO4S2/c1-2-31-26(28)18-17-23-22-15-9-10-16-24(22)27(33(29,30)21-13-7-4-8-14-21)25(23)19-32-20-11-5-3-6-12-20/h3-18H,2,19H2,1H3/b18-17+