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

Systemtic Name: methyl 2-[2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethylcarbamoylamino]benzoate Openeye Name: methyl 2-[2-(4,5,6,7-tetrahydrobenzothiophen-3-yl)ethylcarbamoylamino]benzoate CAS Name: 2-[[oxo-[2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethylamino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethylcarbamoylamino]benzoate Traditional Name: 2-[2-(4,5,6,7-tetrahydrobenzothiophen-3-yl)ethylcarbamoylamino]benzoic acid methyl ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)NCCC2=CSC3=C2CCCC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)NCCC2=CSC3=C2CCCC3

InChI

InChI=1S/C19H22N2O3S/c1-24-18(22)15-7-2-4-8-16(15)21-19(23)20-11-10-13-12-25-17-9-5-3-6-14(13)17/h2,4,7-8,12H,3,5-6,9-11H2,1H3,(H2,20,21,23)