(2S)-4-[2-(2,5-dimethylphenyl)sulfanylethanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-4-[2-(2,5-dimethylphenyl)sulfanylethanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-[2-(2,5-dimethylphenyl)sulfanylacetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-[2-(2,5-dimethylphenyl)sulfanylacetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-[2-[(2,5-dimethylphenyl)thio]acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)N2CC(OC3=CC=CC=C32)C(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S/c1-13-8-9-14(2)18(10-13)26-12-19(23)22-11-17(20(24)21-3)25-16-7-5-4-6-15(16)22/h4-10,17H,11-12H2,1-3H3,(H,21,24)/t17-/m0/s1