ethyl 2-(furan-2-ylmethylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(furan-2-ylmethylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(2-furylmethylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2-furanylmethylamino)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(furan-2-ylmethylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(2-furfurylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NCC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NCC3=CC=CO3

InChI

InChI=1S/C17H20N2O4S/c1-2-22-16(20)14-12-7-3-4-8-13(12)24-15(14)19-17(21)18-10-11-6-5-9-23-11/h5-6,9H,2-4,7-8,10H2,1H3,(H2,18,19,21)