ethyl 4-methyl-2-[2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanoyl-pentyl-amino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanoyl-pentyl-amino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]-pentyl-amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-(3-oxo-1,4-benzothiazin-4-yl)ethyl]-pentylamino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]-pentylamino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[amyl-[2-(3-keto-1,4-benzothiazin-4-yl)acetyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)CN2C(=O)CSC3=CC=CC=C32

Isomeric SMILES

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)CN2C(=O)CSC3=CC=CC=C32

InChI

InChI=1S/C22H27N3O4S2/c1-4-6-9-12-24(22-23-15(3)20(31-22)21(28)29-5-2)18(26)13-25-16-10-7-8-11-17(16)30-14-19(25)27/h7-8,10-11H,4-6,9,12-14H2,1-3H3