methyl (3S)-3-(3,4-dimethoxyphenyl)-3-[(5-nitrothiophen-2-yl)carbonylamino]propanoate

Systemtic Name: methyl (3S)-3-(3,4-dimethoxyphenyl)-3-[(5-nitrothiophen-2-yl)carbonylamino]propanoate Openeye Name: methyl (3S)-3-(3,4-dimethoxyphenyl)-3-[(5-nitrothiophene-2-carbonyl)amino]propanoate CAS Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[[(5-nitro-2-thiophenyl)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (3S)-3-(3,4-dimethoxyphenyl)-3-[(5-nitrothiophene-2-carbonyl)amino]propanoate Traditional Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[(5-nitrothiophene-2-carbonyl)amino]propionic acid methyl ester Formula: C17H18N2O7S MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=CC=C(S2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CC(=O)OC)NC(=O)C2=CC=C(S2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H18N2O7S/c1-24-12-5-4-10(8-13(12)25-2)11(9-16(20)26-3)18-17(21)14-6-7-15(27-14)19(22)23/h4-8,11H,9H2,1-3H3,(H,18,21)/t11-/m0/s1