methyl (2S)-4-(2-dimethylaminoethylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: methyl (2S)-4-(2-dimethylaminoethylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl (2S)-4-(2-dimethylaminoethylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2S)-4-[(2-dimethylaminoethylamino)-sulfanylidenemethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2S)-4-(2-dimethylaminoethylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2S)-4-(2-dimethylaminoethylthiocarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=S)N1CC(OC2=CC=CC=C21)C(=O)OC

Isomeric SMILES

CN(C)CCNC(=S)N1C[C@H](OC2=CC=CC=C21)C(=O)OC

InChI

InChI=1S/C15H21N3O3S/c1-17(2)9-8-16-15(22)18-10-13(14(19)20-3)21-12-7-5-4-6-11(12)18/h4-7,13H,8-10H2,1-3H3,(H,16,22)/t13-/m0/s1