(1-oxidanylidene-1-phenylazanyl-butan-2-yl) 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-butan-2-yl) 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoate Openeye Name: 1-(phenylcarbamoyl)propyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetate CAS Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid (1-anilino-1-oxobutan-2-yl) ester IUPAC Name: (1-anilino-1-oxobutan-2-yl) 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetate Traditional Name: 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetic acid 1-(phenylcarbamoyl)propyl ester Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)OC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)OC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C19H18N2O6S/c1-2-15(18(23)20-13-8-4-3-5-9-13)27-17(22)12-21-19(24)14-10-6-7-11-16(14)28(21,25)26/h3-11,15H,2,12H2,1H3,(H,20,23)