dimethyl 5-(2-adamantylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-(2-adamantylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-(2-adamantylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(2-adamantylamino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(2-adamantylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(2-adamantylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H26N2O4S2 MolecularWeight: 422.56144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2C3CC4CC(C3)CC2C4)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2C3CC4CC(C3)CC2C4)C(=O)OC

InChI

InChI=1S/C20H26N2O4S2/c1-9-14(18(23)25-2)17(28-16(9)19(24)26-3)22-20(27)21-15-12-5-10-4-11(7-12)8-13(15)6-10/h10-13,15H,4-8H2,1-3H3,(H2,21,22,27)