(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethyl-3-thiophenyl)-4-oxobutanoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethyl-3-thienyl)-4-keto-butyric acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)C

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)C

InChI

InChI=1S/C22H21NO6S/c1-12-8-18(13(2)30-12)19(25)6-7-21(26)28-11-15-9-22(27)29-20-10-16(23-14(3)24)4-5-17(15)20/h4-5,8-10H,6-7,11H2,1-3H3,(H,23,24)