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

Systemtic Name: methyl (2S)-4-[(3-fluoranyl-4-methyl-phenyl)carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl (2S)-4-[(3-fluoro-4-methyl-phenyl)carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2S)-4-[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2S)-4-[(3-fluoro-4-methylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2S)-4-[(3-fluoro-4-methyl-phenyl)thiocarbamoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C18H17FN2O3S MolecularWeight: 360.402583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CC(OC3=CC=CC=C32)C(=O)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2C[C@H](OC3=CC=CC=C32)C(=O)OC)F

InChI

InChI=1S/C18H17FN2O3S/c1-11-7-8-12(9-13(11)19)20-18(25)21-10-16(17(22)23-2)24-15-6-4-3-5-14(15)21/h3-9,16H,10H2,1-2H3,(H,20,25)/t16-/m0/s1