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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=CC(=C(C=C3C(=O)OC)OC)OC

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=CC(=C(C=C3C(=O)OC)OC)OC

InChI

InChI=1S/C22H26N2O6S2/c1-11-6-7-12-17(8-11)32-19(18(12)21(26)30-5)24-22(31)23-14-10-16(28-3)15(27-2)9-13(14)20(25)29-4/h9-11H,6-8H2,1-5H3,(H2,23,24,31)