S-[[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-5-nitro-1-propyl-2,3-dihydroindol-2-yl]methyl] ethanethioate

Systemtic Name: S-[[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-5-nitro-1-propyl-2,3-dihydroindol-2-yl]methyl] ethanethioate Openeye Name: S-[[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-5-nitro-1-propyl-indolin-2-yl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[7-[(2,2-dimethyl-1-oxopropyl)amino]-4,6-dimethyl-5-nitro-1-propyl-2,3-dihydroindol-2-yl]methyl] ester IUPAC Name: S-[[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-5-nitro-1-propyl-2,3-dihydroindol-2-yl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[[4,6-dimethyl-5-nitro-7-(pivaloylamino)-1-propyl-indolin-2-yl]methyl] ester Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(CC2=C(C(=C(C(=C21)NC(=O)C(C)(C)C)C)[N+](=O)[O-])C)CSC(=O)C

Isomeric SMILES

CCCN1C(CC2=C(C(=C(C(=C21)NC(=O)C(C)(C)C)C)[N+](=O)[O-])C)CSC(=O)C

InChI

InChI=1S/C21H31N3O4S/c1-8-9-23-15(11-29-14(4)25)10-16-12(2)18(24(27)28)13(3)17(19(16)23)22-20(26)21(5,6)7/h15H,8-11H2,1-7H3,(H,22,26)