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

Systemtic Name: 3-[(2-oxidanylidenechromen-3-yl)carbonylamino]propyl 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: 3-[(2-oxochromene-3-carbonyl)amino]propyl 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-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-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid 3-[(2-ketochromene-3-carbonyl)amino]propyl ester Formula: C22H16ClNO5S MolecularWeight: 441.88414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NCCCOC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NCCCOC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H16ClNO5S/c23-18-14-7-2-4-9-17(14)30-19(18)22(27)28-11-5-10-24-20(25)15-12-13-6-1-3-8-16(13)29-21(15)26/h1-4,6-9,12H,5,10-11H2,(H,24,25)