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

Systemtic Name: S-[2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-5-nitro-2,3-dihydroindol-1-yl]ethyl] ethanethioate Openeye Name: S-[2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-5-nitro-indolin-1-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[7-[(2,2-dimethyl-1-oxopropyl)amino]-4,6-dimethyl-5-nitro-2,3-dihydroindol-1-yl]ethyl] ester IUPAC Name: S-[2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-5-nitro-2,3-dihydroindol-1-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4,6-dimethyl-5-nitro-7-(pivaloylamino)indolin-1-yl]ethyl] ester Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCN(C2=C(C(=C1[N+](=O)[O-])C)NC(=O)C(C)(C)C)CCSC(=O)C

Isomeric SMILES

CC1=C2CCN(C2=C(C(=C1[N+](=O)[O-])C)NC(=O)C(C)(C)C)CCSC(=O)C

InChI

InChI=1S/C19H27N3O4S/c1-11-14-7-8-21(9-10-27-13(3)23)17(14)15(12(2)16(11)22(25)26)20-18(24)19(4,5)6/h7-10H2,1-6H3,(H,20,24)