[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 2-(4-methylthiazol-2-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-methyl-2-thiazolyl)thio]-5-nitrobenzoic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitrobenzoate Traditional Name: 2-[(4-methylthiazol-2-yl)thio]-5-nitro-benzoic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC(=CS3)C

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC(=CS3)C

InChI

InChI=1S/C20H23N3O5S2/c1-12-3-5-14(6-4-12)22-18(24)10-28-19(25)16-9-15(23(26)27)7-8-17(16)30-20-21-13(2)11-29-20/h7-9,11-12,14H,3-6,10H2,1-2H3,(H,22,24)