diethyl 5-[[3-ethoxycarbonyl-5-(phenylmethyl)thiophen-2-yl]carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[[3-ethoxycarbonyl-5-(phenylmethyl)thiophen-2-yl]carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(5-benzyl-3-ethoxycarbonyl-2-thienyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[3-ethoxycarbonyl-5-(phenylmethyl)-2-thiophenyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(5-benzyl-3-ethoxycarbonylthiophen-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(5-benzyl-3-carbethoxy-2-thienyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C27H28N2O6S2 MolecularWeight: 540.65102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C27H28N2O6S2/c1-4-33-24(30)18-13-19(25(31)34-5-2)15-20(14-18)28-27(36)29-23-22(26(32)35-6-3)16-21(37-23)12-17-10-8-7-9-11-17/h7-11,13-16H,4-6,12H2,1-3H3,(H2,28,29,36)