3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[(S)-(4-methylphenyl)-thiophen-2-yl-methyl]propanamide

Systemtic Name: 3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[(S)-(4-methylphenyl)-thiophen-2-yl-methyl]propanamide Openeye Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(S)-p-tolyl(2-thienyl)methyl]propanamide CAS Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]propanamide IUPAC Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]propanamide Traditional Name: 3-(6-chloro-2-keto-1,3-benzoxazol-3-yl)-N-[(S)-p-tolyl(2-thienyl)methyl]propionamide Formula: C22H19ClN2O3S MolecularWeight: 426.91586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C2=CC=CS2)NC(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O

InChI

InChI=1S/C22H19ClN2O3S/c1-14-4-6-15(7-5-14)21(19-3-2-12-29-19)24-20(26)10-11-25-17-9-8-16(23)13-18(17)28-22(25)27/h2-9,12-13,21H,10-11H2,1H3,(H,24,26)/t21-/m0/s1