(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 3-[[4-oxo-4-(2-thienyl)butanoyl]amino]propanoate CAS Name: 3-[(1,4-dioxo-4-thiophen-2-ylbutyl)amino]propanoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate Traditional Name: 3-[[4-keto-4-(2-thienyl)butanoyl]amino]propionic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C23H22N2O7S MolecularWeight: 470.49498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C23H22N2O7S/c1-14(26)25-16-4-5-17-15(11-23(30)32-19(17)12-16)13-31-22(29)8-9-24-21(28)7-6-18(27)20-3-2-10-33-20/h2-5,10-12H,6-9,13H2,1H3,(H,24,28)(H,25,26)