methyl (2R)-4-[[(1S,2S)-2-methylcyclohexyl]carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: methyl (2R)-4-[[(1S,2S)-2-methylcyclohexyl]carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl (2R)-4-[[(1S,2S)-2-methylcyclohexyl]carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2R)-4-[[[(1S,2S)-2-methylcyclohexyl]amino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[[(1S,2S)-2-methylcyclohexyl]carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2R)-4-[[(1S,2S)-2-methylcyclohexyl]thiocarbamoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C18H24N2O3S MolecularWeight: 348.45976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)N2CC(OC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)N2C[C@@H](OC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C18H24N2O3S/c1-12-7-3-4-8-13(12)19-18(24)20-11-16(17(21)22-2)23-15-10-6-5-9-14(15)20/h5-6,9-10,12-13,16H,3-4,7-8,11H2,1-2H3,(H,19,24)/t12-,13-,16+/m0/s1