ethyl 4,5-dimethyl-2-[3-[(2S)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[3-[(2S)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]thiophene-3-carboxylate Traditional Name: 2-[3-[(2S)-3-keto-2-methyl-1,4-benzoxazin-4-yl]propanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCN2C3=CC=CC=C3OC(C2=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCN2C3=CC=CC=C3O[C@H](C2=O)C

InChI

InChI=1S/C21H24N2O5S/c1-5-27-21(26)18-12(2)14(4)29-19(18)22-17(24)10-11-23-15-8-6-7-9-16(15)28-13(3)20(23)25/h6-9,13H,5,10-11H2,1-4H3,(H,22,24)/t13-/m0/s1