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

Systemtic Name: methyl (6S)-6-tert-butyl-2-(cyclohexylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6S)-6-tert-butyl-2-(cyclohexylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-tert-butyl-2-[[(cyclohexylamino)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6S)-6-tert-butyl-2-(cyclohexylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-tert-butyl-2-(cyclohexylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H32N2O3S MolecularWeight: 392.55538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)NC3CCCCC3

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)NC3CCCCC3

InChI

InChI=1S/C21H32N2O3S/c1-21(2,3)13-10-11-15-16(12-13)27-18(17(15)19(24)26-4)23-20(25)22-14-8-6-5-7-9-14/h13-14H,5-12H2,1-4H3,(H2,22,23,25)/t13-/m0/s1