dimethyl 2-[2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethylcarbamoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethylcarbamoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[2-(4,5,6,7-tetrahydrobenzothiophen-3-yl)ethylcarbamoylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[oxo-[2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethylamino]methyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethylcarbamoylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[2-(4,5,6,7-tetrahydrobenzothiophen-3-yl)ethylcarbamoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)NCCC2=CSC3=C2CCCC3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)NCCC2=CSC3=C2CCCC3

InChI

InChI=1S/C21H24N2O5S/c1-27-19(24)13-7-8-16(20(25)28-2)17(11-13)23-21(26)22-10-9-14-12-29-18-6-4-3-5-15(14)18/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,22,23,26)