methyl 2-[(3S,4R)-3-azanyl-2-oxidanylidene-4-(2-thiophen-3-ylethanoyloxy)azetidin-1-yl]-3-methyl-but-2-enoate; 4-methylbenzenesulfonic acid

Systemtic Name: methyl 2-[(3S,4R)-3-azanyl-2-oxidanylidene-4-(2-thiophen-3-ylethanoyloxy)azetidin-1-yl]-3-methyl-but-2-enoate; 4-methylbenzenesulfonic acid Openeye Name: methyl 2-[(3S,4R)-3-amino-2-oxo-4-[2-(3-thienyl)acetyl]oxy-azetidin-1-yl]-3-methyl-but-2-enoate; 4-methylbenzenesulfonic acid CAS Name: 2-[(3S,4R)-3-amino-2-oxo-4-[1-oxo-2-(3-thiophenyl)ethoxy]-1-azetidinyl]-3-methyl-2-butenoic acid methyl ester; 4-methylbenzenesulfonic acid IUPAC Name: methyl 2-[(3S,4R)-3-amino-2-oxo-4-(2-thiophen-3-ylacetyl)oxyazetidin-1-yl]-3-methylbut-2-enoate; 4-methylbenzenesulfonic acid Traditional Name: 2-[(3S,4R)-3-amino-2-keto-4-[2-(3-thienyl)acetyl]oxy-azetidin-1-yl]-3-methyl-but-2-enoic acid methyl ester; tosylic acid Formula: C22H26N2O8S2 MolecularWeight: 510.58044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=C(C(=O)OC)N1C(C(C1=O)N)OC(=O)CC2=CSC=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=C(C(=O)OC)N1[C@@H]([C@@H](C1=O)N)OC(=O)CC2=CSC=C2)C

InChI

InChI=1S/C15H18N2O5S.C7H8O3S/c1-8(2)12(15(20)21-3)17-13(19)11(16)14(17)22-10(18)6-9-4-5-23-7-9;1-6-2-4-7(5-3-6)11(8,9)10/h4-5,7,11,14H,6,16H2,1-3H3;2-5H,1H3,(H,8,9,10)/t11-,14-;/m1./s1