S-[2-methyl-2-(8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)propyl] ethanethioate

Systemtic Name: S-[2-methyl-2-(8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)propyl] ethanethioate Openeye Name: S-[2-methyl-2-(8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)propyl] ethanethioate CAS Name: ethanethioic acid S-[2-methyl-2-(8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)propyl] ester IUPAC Name: S-[2-methyl-2-(8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)propyl] ethanethioate Traditional Name: ethanethioic acid S-[2-methyl-2-(8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)propyl] ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C)(C)C1C2CC=CC2C3=C(N1)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SCC(C)(C)C1C2CC=CC2C3=C(N1)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O3S/c1-11(21)24-10-18(2,3)17-14-6-4-5-13(14)15-9-12(20(22)23)7-8-16(15)19-17/h4-5,7-9,13-14,17,19H,6,10H2,1-3H3