2-(1,3-benzoxazol-2-ylsulfanylmethyl)-3-methyl-4-oxidanylidene-N-[(1R)-1-phenylpropyl]azetidine-1-carboxamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-3-methyl-4-oxidanylidene-N-[(1R)-1-phenylpropyl]azetidine-1-carboxamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-3-methyl-4-oxo-N-[(1R)-1-phenylpropyl]azetidine-1-carboxamide CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-3-methyl-4-oxo-N-[(1R)-1-phenylpropyl]-1-azetidinecarboxamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-3-methyl-4-oxo-N-[(1R)-1-phenylpropyl]azetidine-1-carboxamide Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-4-keto-3-methyl-N-[(1R)-1-phenylpropyl]azetidine-1-carboxamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)N2C(C(C2=O)C)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)NC(=O)N2C(C(C2=O)C)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H23N3O3S/c1-3-16(15-9-5-4-6-10-15)23-21(27)25-18(14(2)20(25)26)13-29-22-24-17-11-7-8-12-19(17)28-22/h4-12,14,16,18H,3,13H2,1-2H3,(H,23,27)/t14?,16-,18?/m1/s1