(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(thiophen-3-ylcarbonylamino)propanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(thiophen-3-ylcarbonylamino)propanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 3-(thiophene-3-carbonylamino)propanoate CAS Name: 3-[[oxo(3-thiophenyl)methyl]amino]propanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(thiophene-3-carbonylamino)propanoate Traditional Name: 3-(3-thenoylamino)propionic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C19H16ClNO5S MolecularWeight: 405.85204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCNC(=O)C3=CSC=C3)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCNC(=O)C3=CSC=C3)Cl

InChI

InChI=1S/C19H16ClNO5S/c1-11-6-16-14(8-15(11)20)13(7-18(23)26-16)9-25-17(22)2-4-21-19(24)12-3-5-27-10-12/h3,5-8,10H,2,4,9H2,1H3,(H,21,24)