methyl 3-[methyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[methyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[methyl-[(3-methyl-2-thiophenyl)methyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[methyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(C)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC=C1)CN(C)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H16N2O5S/c1-10-4-5-24-14(10)9-17(2)15(19)11-6-12(16(20)23-3)8-13(7-11)18(21)22/h4-8H,9H2,1-3H3