dimethyl 5-(1-adamantylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-(1-adamantylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-(1-adamantylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(1-adamantylamino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(1-adamantylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(1-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)NC23CC4CC(C2)CC(C4)C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC23CC4CC(C2)CC(C4)C3)C(=O)OC

InChI

InChI=1S/C20H26N2O4S2/c1-10-14(17(23)25-2)16(28-15(10)18(24)26-3)21-19(27)22-20-7-11-4-12(8-20)6-13(5-11)9-20/h11-13H,4-9H2,1-3H3,(H2,21,22,27)