methyl 6-methyl-2-[(4-propan-2-yloxycarbonylphenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-methyl-2-[(4-propan-2-yloxycarbonylphenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(4-isopropoxycarbonylphenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[[4-[oxo(propan-2-yloxy)methyl]anilino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[(4-propan-2-yloxycarbonylphenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-isopropoxycarbonylphenyl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=CC=C(C=C3)C(=O)OC(C)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=CC=C(C=C3)C(=O)OC(C)C

InChI

InChI=1S/C22H26N2O4S2/c1-12(2)28-20(25)14-6-8-15(9-7-14)23-22(29)24-19-18(21(26)27-4)16-10-5-13(3)11-17(16)30-19/h6-9,12-13H,5,10-11H2,1-4H3,(H2,23,24,29)