ethyl 3-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(2-methoxyphenyl)methyl-(2-thienylmethyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-nitro-5-[o-anisyl(2-thenyl)carbamoyl]benzoic acid ethyl ester Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(CC2=CC=CC=C2OC)CC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(CC2=CC=CC=C2OC)CC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O6S/c1-3-31-23(27)18-11-17(12-19(13-18)25(28)29)22(26)24(15-20-8-6-10-32-20)14-16-7-4-5-9-21(16)30-2/h4-13H,3,14-15H2,1-2H3