ethyl 2-[4-[(2,3-dimethylcyclohexyl)carbamoyl]-2-nitro-phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-[(2,3-dimethylcyclohexyl)carbamoyl]-2-nitro-phenyl]sulfanylethanoate Openeye Name: ethyl 2-[4-[(2,3-dimethylcyclohexyl)carbamoyl]-2-nitro-phenyl]sulfanylacetate CAS Name: 2-[[4-[[(2,3-dimethylcyclohexyl)amino]-oxomethyl]-2-nitrophenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(2,3-dimethylcyclohexyl)carbamoyl]-2-nitrophenyl]sulfanylacetate Traditional Name: 2-[[4-[(2,3-dimethylcyclohexyl)carbamoyl]-2-nitro-phenyl]thio]acetic acid ethyl ester Formula: C19H26N2O5S MolecularWeight: 394.48514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)NC2CCCC(C2C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)NC2CCCC(C2C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H26N2O5S/c1-4-26-18(22)11-27-17-9-8-14(10-16(17)21(24)25)19(23)20-15-7-5-6-12(2)13(15)3/h8-10,12-13,15H,4-7,11H2,1-3H3,(H,20,23)