methyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-pentanoylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-pentanoylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methoxy-2-oxo-ethyl)-2-pentanoylimino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxy-2-oxoethyl)-2-(1-oxopentylimino)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methoxy-2-oxoethyl)-2-pentanoylimino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-keto-2-methoxy-ethyl)-2-valerylimino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)C(=O)OC)CC(=O)OC

Isomeric SMILES

CCCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)C(=O)OC)CC(=O)OC

InChI

InChI=1S/C17H20N2O5S/c1-4-5-6-14(20)18-17-19(10-15(21)23-2)12-8-7-11(16(22)24-3)9-13(12)25-17/h7-9H,4-6,10H2,1-3H3