methyl 6-tert-butyl-3-(2-methoxyethylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-tert-butyl-3-(2-methoxyethylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-tert-butyl-3-(2-methoxyethylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 6-tert-butyl-3-[[(2-methoxyethylamino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-tert-butyl-3-(2-methoxyethylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 6-tert-butyl-3-(2-methoxyethylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid methyl ester Formula: C18H28N2O3S2 MolecularWeight: 384.55652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2NC(=S)NCCOC)C(=O)OC

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2NC(=S)NCCOC)C(=O)OC

InChI

InChI=1S/C18H28N2O3S2/c1-18(2,3)11-6-7-12-13(10-11)25-15(16(21)23-5)14(12)20-17(24)19-8-9-22-4/h11H,6-10H2,1-5H3,(H2,19,20,24)