methyl 2-[[5-(4-methoxy-2-nitro-phenyl)furan-2-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[5-(4-methoxy-2-nitro-phenyl)furan-2-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[5-(4-methoxy-2-nitro-phenyl)furan-2-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[5-(4-methoxy-2-nitrophenyl)-2-furanyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[5-(4-methoxy-2-nitro-phenyl)-2-furoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H20N2O7S MolecularWeight: 456.4684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC=C(O2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC=C(O2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O7S/c1-29-12-7-8-13(15(11-12)24(27)28)16-9-10-17(31-16)20(25)23-21-19(22(26)30-2)14-5-3-4-6-18(14)32-21/h7-11H,3-6H2,1-2H3,(H,23,25)