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

Systemtic Name: methyl (2S)-4-[(3-ethylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl (2S)-4-[(3-ethylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2S)-4-[(3-ethylanilino)-sulfanylidenemethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2S)-4-[(3-ethylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2S)-4-[(3-ethylphenyl)thiocarbamoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CC(OC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2C[C@H](OC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C19H20N2O3S/c1-3-13-7-6-8-14(11-13)20-19(25)21-12-17(18(22)23-2)24-16-10-5-4-9-15(16)21/h4-11,17H,3,12H2,1-2H3,(H,20,25)/t17-/m0/s1