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

Systemtic Name: methyl 4-[[3-(methoxycarbonylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[3-(methoxycarbonylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamoyl]benzoate CAS Name: 4-[[[3-[(methoxycarbonylamino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(methoxycarbonylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]benzoate Traditional Name: 4-[[3-(carbomethoxycarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamoyl]benzoic acid methyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC(=O)OC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC(=O)OC

InChI

InChI=1S/C20H20N2O6S/c1-27-19(25)12-9-7-11(8-10-12)16(23)21-18-15(17(24)22-20(26)28-2)13-5-3-4-6-14(13)29-18/h7-10H,3-6H2,1-2H3,(H,21,23)(H,22,24,26)