N-[2-(3-azanyl-4-oxidanylidene-azetidin-2-yl)sulfanylethyl]ethanamide; 4-methylbenzenesulfonic acid

Systemtic Name: N-[2-(3-azanyl-4-oxidanylidene-azetidin-2-yl)sulfanylethyl]ethanamide; 4-methylbenzenesulfonic acid Openeye Name: N-[2-(3-amino-4-oxo-azetidin-2-yl)sulfanylethyl]acetamide; 4-methylbenzenesulfonic acid CAS Name: N-[2-[(3-amino-4-oxo-2-azetidinyl)thio]ethyl]acetamide; 4-methylbenzenesulfonic acid IUPAC Name: N-[2-(3-amino-4-oxoazetidin-2-yl)sulfanylethyl]acetamide; 4-methylbenzenesulfonic acid Traditional Name: N-[2-[(3-amino-4-keto-azetidin-2-yl)thio]ethyl]acetamide; tosylic acid Formula: C14H21N3O5S2 MolecularWeight: 375.46364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)NCCSC1C(C(=O)N1)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)NCCSC1C(C(=O)N1)N

InChI

InChI=1S/C7H13N3O2S.C7H8O3S/c1-4(11)9-2-3-13-7-5(8)6(12)10-7;1-6-2-4-7(5-3-6)11(8,9)10/h5,7H,2-3,8H2,1H3,(H,9,11)(H,10,12);2-5H,1H3,(H,8,9,10)