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

Systemtic Name: methyl 2-[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H24N2O6S2 MolecularWeight: 464.55506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)OC

InChI

InChI=1S/C21H24N2O6S2/c1-26-14-9-12(19(24)28-3)13(10-15(14)27-2)22-21(30)23-18-17(20(25)29-4)11-7-5-6-8-16(11)31-18/h9-10H,5-8H2,1-4H3,(H2,22,23,30)