4-acetamido-N-[(2S,3R)-3-chloranyl-2-(4-methylphenyl)-4-oxidanylidene-azetidin-1-yl]-2-ethoxy-benzamide

Systemtic Name: 4-acetamido-N-[(2S,3R)-3-chloranyl-2-(4-methylphenyl)-4-oxidanylidene-azetidin-1-yl]-2-ethoxy-benzamide Openeye Name: 4-acetamido-N-[(3R,4S)-3-chloro-2-oxo-4-(p-tolyl)azetidin-1-yl]-2-ethoxy-benzamide CAS Name: 4-acetamido-N-[(2S,3R)-3-chloro-2-(4-methylphenyl)-4-oxo-1-azetidinyl]-2-ethoxybenzamide IUPAC Name: 4-acetamido-N-[(2S,3R)-3-chloro-2-(4-methylphenyl)-4-oxoazetidin-1-yl]-2-ethoxybenzamide Traditional Name: 4-acetamido-N-[(3R,4S)-3-chloro-2-keto-4-(p-tolyl)azetidin-1-yl]-2-ethoxy-benzamide Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NN2C(C(C2=O)Cl)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NN2[C@H]([C@H](C2=O)Cl)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H22ClN3O4/c1-4-29-17-11-15(23-13(3)26)9-10-16(17)20(27)24-25-19(18(22)21(25)28)14-7-5-12(2)6-8-14/h5-11,18-19H,4H2,1-3H3,(H,23,26)(H,24,27)/t18-,19+/m1/s1