[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: [2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid [2-[(4-methyl-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid [2-keto-2-[(4-methylthiazol-2-yl)amino]ethyl] ester Formula: C16H15ClN2O5S MolecularWeight: 382.8187

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC1=CSC(=N1)NC(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C16H15ClN2O5S/c1-9-8-25-16(18-9)19-13(20)7-24-15(21)10-5-11(17)14-12(6-10)22-3-2-4-23-14/h5-6,8H,2-4,7H2,1H3,(H,18,19,20)