methyl (2S)-4-[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: methyl (2S)-4-[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl (2S)-4-[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2S)-4-[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2S)-4-[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2S)-4-[2-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CN2CC(OC3=CC=CC=C32)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CN2C[C@H](OC3=CC=CC=C32)C(=O)OC)C

InChI

InChI=1S/C21H24N2O6/c1-5-28-21(26)18-12(2)19(22-13(18)3)15(24)10-23-11-17(20(25)27-4)29-16-9-7-6-8-14(16)23/h6-9,17,22H,5,10-11H2,1-4H3/t17-/m0/s1