ethyl 4-methyl-2-[(2-oxidanylidenechromen-3-yl)carbonylamino]-5-propanoyl-thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[(2-oxidanylidenechromen-3-yl)carbonylamino]-5-propanoyl-thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-2-[(2-oxochromene-3-carbonyl)amino]-5-propanoyl-thiophene-3-carboxylate CAS Name: 4-methyl-2-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]-5-(1-oxopropyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(2-oxochromene-3-carbonyl)amino]-5-propanoylthiophene-3-carboxylate Traditional Name: 2-[(2-ketochromene-3-carbonyl)amino]-4-methyl-5-propionyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=CC=CC=C3OC2=O)C(=O)OCC)C

Isomeric SMILES

CCC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=CC=CC=C3OC2=O)C(=O)OCC)C

InChI

InChI=1S/C21H19NO6S/c1-4-14(23)17-11(3)16(21(26)27-5-2)19(29-17)22-18(24)13-10-12-8-6-7-9-15(12)28-20(13)25/h6-10H,4-5H2,1-3H3,(H,22,24)