(E)-2-(2,3-dihydroindol-1-ylcarbonyl)-3-[3-methoxy-4-(2-phenylsulfanylethoxy)phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(2,3-dihydroindol-1-ylcarbonyl)-3-[3-methoxy-4-(2-phenylsulfanylethoxy)phenyl]prop-2-enenitrile Openeye Name: (E)-2-(indoline-1-carbonyl)-3-[3-methoxy-4-(2-phenylsulfanylethoxy)phenyl]prop-2-enenitrile CAS Name: (E)-2-[2,3-dihydroindol-1-yl(oxo)methyl]-3-[3-methoxy-4-[2-(phenylthio)ethoxy]phenyl]-2-propenenitrile IUPAC Name: (E)-2-(2,3-dihydroindole-1-carbonyl)-3-[3-methoxy-4-(2-phenylsulfanylethoxy)phenyl]prop-2-enenitrile Traditional Name: (E)-2-(indoline-1-carbonyl)-3-[3-methoxy-4-[2-(phenylthio)ethoxy]phenyl]acrylonitrile Formula: C27H24N2O3S MolecularWeight: 456.55606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)N2CCC3=CC=CC=C32)OCCSC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)N2CCC3=CC=CC=C32)OCCSC4=CC=CC=C4

InChI

InChI=1S/C27H24N2O3S/c1-31-26-18-20(11-12-25(26)32-15-16-33-23-8-3-2-4-9-23)17-22(19-28)27(30)29-14-13-21-7-5-6-10-24(21)29/h2-12,17-18H,13-16H2,1H3/b22-17+