methyl 2-[2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]amino]thiazole-5-carboxylate CAS Name: 2-[[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-oxoethyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]amino]thiazole-5-carboxylic acid methyl ester Formula: C16H15ClN2O5S MolecularWeight: 382.8187

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(S1)NC(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

COC(=O)C1=CN=C(S1)NC(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

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