N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]thiophen-2-yl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]thiophen-2-yl]-5-nitro-furan-2-carboxamide Openeye Name: N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-2-thienyl]-5-nitro-furan-2-carboxamide CAS Name: N-[3-[[2-(3,4-dimethoxyphenyl)ethylamino]-oxomethyl]-2-thiophenyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]thiophen-2-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-[3-(homoveratrylcarbamoyl)-2-thienyl]-5-nitro-2-furamide Formula: C20H19N3O7S MolecularWeight: 445.44576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=C(SC=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=C(SC=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H19N3O7S/c1-28-14-4-3-12(11-16(14)29-2)7-9-21-18(24)13-8-10-31-20(13)22-19(25)15-5-6-17(30-15)23(26)27/h3-6,8,10-11H,7,9H2,1-2H3,(H,21,24)(H,22,25)