ethyl 2-[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(4,5-dimethoxy-2-methoxycarbonylanilino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-carbomethoxy-4,5-dimethoxy-phenyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H26N2O6S2 MolecularWeight: 478.58164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC(=C(C=C3C(=O)OC)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC(=C(C=C3C(=O)OC)OC)OC

InChI

InChI=1S/C22H26N2O6S2/c1-5-30-21(26)18-12-8-6-7-9-17(12)32-19(18)24-22(31)23-14-11-16(28-3)15(27-2)10-13(14)20(25)29-4/h10-11H,5-9H2,1-4H3,(H2,23,24,31)