ethyl 4-(2-methylpropyl)-2-[(2-oxidanylidenechromen-3-yl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2-methylpropyl)-2-[(2-oxidanylidenechromen-3-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-isobutyl-2-[(2-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4-(2-methylpropyl)-2-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methylpropyl)-2-[(2-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4-isobutyl-2-[(2-ketochromene-3-carbonyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C21H21NO5S/c1-4-26-21(25)17-14(9-12(2)3)11-28-19(17)22-18(23)15-10-13-7-5-6-8-16(13)27-20(15)24/h5-8,10-12H,4,9H2,1-3H3,(H,22,23)