ethyl 2-(ethoxycarbonylcarbamothioylamino)-5,6-dimethoxy-1H-indole-3-carboxylate

Systemtic Name: ethyl 2-(ethoxycarbonylcarbamothioylamino)-5,6-dimethoxy-1H-indole-3-carboxylate Openeye Name: ethyl 2-(ethoxycarbonylcarbamothioylamino)-5,6-dimethoxy-1H-indole-3-carboxylate CAS Name: 2-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-5,6-dimethoxy-1H-indole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(ethoxycarbonylcarbamothioylamino)-5,6-dimethoxy-1H-indole-3-carboxylate Traditional Name: 2-(carbethoxythiocarbamoylamino)-5,6-dimethoxy-1H-indole-3-carboxylic acid ethyl ester Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC(=C(C=C21)OC)OC)NC(=S)NC(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC(=C(C=C21)OC)OC)NC(=S)NC(=O)OCC

InChI

InChI=1S/C17H21N3O6S/c1-5-25-15(21)13-9-7-11(23-3)12(24-4)8-10(9)18-14(13)19-16(27)20-17(22)26-6-2/h7-8,18H,5-6H2,1-4H3,(H2,19,20,22,27)