methyl 7-methoxy-2-[(5-nitrofuran-2-yl)carbonylamino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate

Systemtic Name: methyl 7-methoxy-2-[(5-nitrofuran-2-yl)carbonylamino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Openeye Name: methyl 7-methoxy-2-[(5-nitrofuran-2-carbonyl)amino]-4,5-dihydrobenzo[e]benzothiophene-1-carboxylate CAS Name: 7-methoxy-2-[[(5-nitro-2-furanyl)-oxomethyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylic acid methyl ester IUPAC Name: methyl 7-methoxy-2-[(5-nitrofuran-2-carbonyl)amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Traditional Name: 7-methoxy-2-[(5-nitro-2-furoyl)amino]-4,5-dihydrobenzo[e]benzothiophene-1-carboxylic acid methyl ester Formula: C20H16N2O7S MolecularWeight: 428.41524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(CC2)SC(=C3C(=O)OC)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(CC2)SC(=C3C(=O)OC)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O7S/c1-27-11-4-5-12-10(9-11)3-7-14-16(12)17(20(24)28-2)19(30-14)21-18(23)13-6-8-15(29-13)22(25)26/h4-6,8-9H,3,7H2,1-2H3,(H,21,23)