methyl 3-(2-methoxyethyl)-2-pentanoylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-methoxyethyl)-2-pentanoylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methoxyethyl)-2-pentanoylimino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxyethyl)-2-(1-oxopentylimino)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methoxyethyl)-2-pentanoylimino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-methoxyethyl)-2-valerylimino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4S/c1-4-5-6-15(20)18-17-19(9-10-22-2)13-8-7-12(16(21)23-3)11-14(13)24-17/h7-8,11H,4-6,9-10H2,1-3H3