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

Systemtic Name: (2S)-4-[3-(3,4-dimethylphenyl)sulfanylpropanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-[3-(3,4-dimethylphenyl)sulfanylpropanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-[3-(3,4-dimethylphenyl)sulfanylpropanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-[3-[(3,4-dimethylphenyl)thio]propanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c1-14-8-9-16(12-15(14)2)27-11-10-20(24)23-13-19(21(25)22-3)26-18-7-5-4-6-17(18)23/h4-9,12,19H,10-11,13H2,1-3H3,(H,22,25)/t19-/m0/s1