dimethyl 5-[(5-tert-butyl-2-methoxy-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[(5-tert-butyl-2-methoxy-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(5-tert-butyl-2-methoxy-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(5-tert-butyl-2-methoxyanilino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(5-tert-butyl-2-methoxyphenyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(5-tert-butyl-2-methoxy-phenyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=CC(=C2)C(C)(C)C)OC)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=CC(=C2)C(C)(C)C)OC)C(=O)OC

InChI

InChI=1S/C21H26N2O5S2/c1-11-15(18(24)27-6)17(30-16(11)19(25)28-7)23-20(29)22-13-10-12(21(2,3)4)8-9-14(13)26-5/h8-10H,1-7H3,(H2,22,23,29)