diethyl 2-(phenylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3,4-dicarboxylate

Systemtic Name: diethyl 2-(phenylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3,4-dicarboxylate Openeye Name: diethyl 2-(phenylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3,4-dicarboxylate CAS Name: 2-[[anilino(oxo)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(phenylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3,4-dicarboxylate Traditional Name: 2-(phenylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3,4-dicarboxylic acid diethyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC2=C1C(=C(S2)NC(=O)NC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CCCC2=C1C(=C(S2)NC(=O)NC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C21H24N2O5S/c1-3-27-19(24)14-11-8-12-15-16(14)17(20(25)28-4-2)18(29-15)23-21(26)22-13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3,(H2,22,23,26)