methyl (2R)-4-(cyclohexylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: methyl (2R)-4-(cyclohexylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl (2R)-4-(cyclohexylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2R)-4-[(cyclohexylamino)-sulfanylidenemethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(cyclohexylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2R)-4-(cyclohexylthiocarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C2=CC=CC=C2O1)C(=S)NC3CCCCC3

Isomeric SMILES

COC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=S)NC3CCCCC3

InChI

InChI=1S/C17H22N2O3S/c1-21-16(20)15-11-19(13-9-5-6-10-14(13)22-15)17(23)18-12-7-3-2-4-8-12/h5-6,9-10,12,15H,2-4,7-8,11H2,1H3,(H,18,23)/t15-/m1/s1