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

Systemtic Name: methyl (2R)-4-[(3-bromophenyl)carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl (2R)-4-[(3-bromophenyl)carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2R)-4-[(3-bromoanilino)-sulfanylidenemethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(3-bromophenyl)carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2R)-4-[(3-bromophenyl)thiocarbamoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C17H15BrN2O3S MolecularWeight: 407.2816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C2=CC=CC=C2O1)C(=S)NC3=CC(=CC=C3)Br

Isomeric SMILES

COC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=S)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H15BrN2O3S/c1-22-16(21)15-10-20(13-7-2-3-8-14(13)23-15)17(24)19-12-6-4-5-11(18)9-12/h2-9,15H,10H2,1H3,(H,19,24)/t15-/m1/s1