(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)propanoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)propanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(4-methyl-2-oxo-thiazol-3-yl)propanoate CAS Name: 3-(4-methyl-2-oxo-3-thiazolyl)propanoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate Traditional Name: 3-(2-keto-4-methyl-4-thiazolin-3-yl)propionic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C17H18ClNO5S MolecularWeight: 383.84652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=O)N1CCC(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC1=CSC(=O)N1CCC(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C17H18ClNO5S/c1-11-10-25-17(21)19(11)4-3-15(20)24-9-12-7-13(18)16-14(8-12)22-5-2-6-23-16/h7-8,10H,2-6,9H2,1H3