methyl 3-(4-butyl-3-oxidanyl-1,4-benzothiazin-2-yl)-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-(4-butyl-3-oxidanyl-1,4-benzothiazin-2-yl)-3-oxidanylidene-propanoate Openeye Name: methyl 3-(4-butyl-3-hydroxy-1,4-benzothiazin-2-yl)-3-oxo-propanoate CAS Name: 3-(4-butyl-3-hydroxy-1,4-benzothiazin-2-yl)-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-(4-butyl-3-hydroxy-1,4-benzothiazin-2-yl)-3-oxopropanoate Traditional Name: 3-(4-butyl-3-hydroxy-1,4-benzothiazin-2-yl)-3-keto-propionic acid methyl ester Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2SC(=C1O)C(=O)CC(=O)OC

Isomeric SMILES

CCCCN1C2=CC=CC=C2SC(=C1O)C(=O)CC(=O)OC

InChI

InChI=1S/C16H19NO4S/c1-3-4-9-17-11-7-5-6-8-13(11)22-15(16(17)20)12(18)10-14(19)21-2/h5-8,20H,3-4,9-10H2,1-2H3