phenyl 2-(butanoylamino)-2-[2-[2-oxidanylidene-6-(phenylcarbonyl)-1,3-benzothiazol-3-yl]ethoxy]propanoate

Systemtic Name: phenyl 2-(butanoylamino)-2-[2-[2-oxidanylidene-6-(phenylcarbonyl)-1,3-benzothiazol-3-yl]ethoxy]propanoate Openeye Name: phenyl 2-[2-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]-2-(butanoylamino)propanoate CAS Name: 2-[2-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]-2-(1-oxobutylamino)propanoic acid phenyl ester IUPAC Name: phenyl 2-[2-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]-2-(butanoylamino)propanoate Traditional Name: 2-[2-(6-benzoyl-2-keto-1,3-benzothiazol-3-yl)ethoxy]-2-butyramido-propionic acid phenyl ester Formula: C29H28N2O6S MolecularWeight: 532.60742

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(C)(C(=O)OC1=CC=CC=C1)OCCN2C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)SC2=O

Isomeric SMILES

CCCC(=O)NC(C)(C(=O)OC1=CC=CC=C1)OCCN2C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)SC2=O

InChI

InChI=1S/C29H28N2O6S/c1-3-10-25(32)30-29(2,27(34)37-22-13-8-5-9-14-22)36-18-17-31-23-16-15-21(19-24(23)38-28(31)35)26(33)20-11-6-4-7-12-20/h4-9,11-16,19H,3,10,17-18H2,1-2H3,(H,30,32)