methyl 3-[[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[3-[(3-methoxypropylamino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C22H25N3O7S/c1-31-9-5-8-23-20(27)18-16-6-3-4-7-17(16)33-21(18)24-19(26)13-10-14(22(28)32-2)12-15(11-13)25(29)30/h10-12H,3-9H2,1-2H3,(H,23,27)(H,24,26)