3-[(2-oxidanylidenechromen-3-yl)carbonylamino]propyl 3-chloranyl-5-methoxy-1-benzothiophene-2-carboxylate

Systemtic Name: 3-[(2-oxidanylidenechromen-3-yl)carbonylamino]propyl 3-chloranyl-5-methoxy-1-benzothiophene-2-carboxylate Openeye Name: 3-[(2-oxochromene-3-carbonyl)amino]propyl 3-chloro-5-methoxy-benzothiophene-2-carboxylate CAS Name: 3-chloro-5-methoxy-1-benzothiophene-2-carboxylic acid 3-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]propyl ester IUPAC Name: 3-[(2-oxochromene-3-carbonyl)amino]propyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-5-methoxy-benzothiophene-2-carboxylic acid 3-[(2-ketochromene-3-carbonyl)amino]propyl ester Formula: C23H18ClNO6S MolecularWeight: 471.91012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=C2Cl)C(=O)OCCCNC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=C2Cl)C(=O)OCCCNC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C23H18ClNO6S/c1-29-14-7-8-18-15(12-14)19(24)20(32-18)23(28)30-10-4-9-25-21(26)16-11-13-5-2-3-6-17(13)31-22(16)27/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,25,26)