5-oxidanylidene-5-[(3-oxidanylidene-4-prop-2-ynyl-1,4-benzothiazin-6-yl)amino]-3-(trifluoromethyl)pentanoic acid

Systemtic Name: 5-oxidanylidene-5-[(3-oxidanylidene-4-prop-2-ynyl-1,4-benzothiazin-6-yl)amino]-3-(trifluoromethyl)pentanoic acid Openeye Name: 5-oxo-5-[(3-oxo-4-prop-2-ynyl-1,4-benzothiazin-6-yl)amino]-3-(trifluoromethyl)pentanoic acid CAS Name: 5-oxo-5-[(3-oxo-4-prop-2-ynyl-1,4-benzothiazin-6-yl)amino]-3-(trifluoromethyl)pentanoic acid IUPAC Name: 5-oxo-5-[(3-oxo-4-prop-2-ynyl-1,4-benzothiazin-6-yl)amino]-3-(trifluoromethyl)pentanoic acid Traditional Name: 5-keto-5-[(3-keto-4-propargyl-1,4-benzothiazin-6-yl)amino]-3-(trifluoromethyl)valeric acid Formula: C17H15F3N2O4S MolecularWeight: 400.37221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)CSC2=C1C=C(C=C2)NC(=O)CC(CC(=O)O)C(F)(F)F

Isomeric SMILES

C#CCN1C(=O)CSC2=C1C=C(C=C2)NC(=O)CC(CC(=O)O)C(F)(F)F

InChI

InChI=1S/C17H15F3N2O4S/c1-2-5-22-12-8-11(3-4-13(12)27-9-15(22)24)21-14(23)6-10(7-16(25)26)17(18,19)20/h1,3-4,8,10H,5-7,9H2,(H,21,23)(H,25,26)