[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [2-[methyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2-[methyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-keto-2-[methyl-[(3-methyl-2-thienyl)methyl]amino]ethyl] ester Formula: C16H15ClN2O5S MolecularWeight: 382.8187

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(C)C(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(SC=C1)CN(C)C(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H15ClN2O5S/c1-10-5-6-25-14(10)8-18(2)15(20)9-24-16(21)12-4-3-11(19(22)23)7-13(12)17/h3-7H,8-9H2,1-2H3