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

Systemtic Name: methyl 3-[(5-methylthiophen-2-yl)methyl-phenethyl-carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(5-methyl-2-thienyl)methyl-phenethyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(5-methyl-2-thiophenyl)methyl-phenethylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(5-methylthiophen-2-yl)methyl-phenethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(5-methyl-2-thienyl)methyl-phenethyl-carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C23H22N2O5S/c1-16-8-9-21(31-16)15-24(11-10-17-6-4-3-5-7-17)22(26)18-12-19(23(27)30-2)14-20(13-18)25(28)29/h3-9,12-14H,10-11,15H2,1-2H3