O-ethyl [4-(5-bromanyl-1-ethanoyl-2,3-dihydroindol-3-yl)-2-oxidanylidene-butyl]sulfanylmethanethioate

Systemtic Name: O-ethyl [4-(5-bromanyl-1-ethanoyl-2,3-dihydroindol-3-yl)-2-oxidanylidene-butyl]sulfanylmethanethioate Openeye Name: O-ethyl [4-(1-acetyl-5-bromo-indolin-3-yl)-2-oxo-butyl]sulfanylmethanethioate CAS Name: [[4-(1-acetyl-5-bromo-2,3-dihydroindol-3-yl)-2-oxobutyl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [4-(1-acetyl-5-bromo-2,3-dihydroindol-3-yl)-2-oxobutyl]sulfanylmethanethioate Traditional Name: [[4-(1-acetyl-5-bromo-indolin-3-yl)-2-keto-butyl]thio]methanethioic acid O-ethyl ester Formula: C17H20BrNO3S2 MolecularWeight: 430.3796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SCC(=O)CCC1CN(C2=C1C=C(C=C2)Br)C(=O)C

Isomeric SMILES

CCOC(=S)SCC(=O)CCC1CN(C2=C1C=C(C=C2)Br)C(=O)C

InChI

InChI=1S/C17H20BrNO3S2/c1-3-22-17(23)24-10-14(21)6-4-12-9-19(11(2)20)16-7-5-13(18)8-15(12)16/h5,7-8,12H,3-4,6,9-10H2,1-2H3