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

Systemtic Name: 3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]propanamide Openeye Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-2-morpholino-2-(2-thienyl)ethyl]propanamide CAS Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-2-(4-morpholinyl)-2-thiophen-2-ylethyl]propanamide IUPAC Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide Traditional Name: 3-(6-chloro-2-keto-1,3-benzoxazol-3-yl)-N-[(2S)-2-morpholino-2-(2-thienyl)ethyl]propionamide Formula: C20H22ClN3O4S MolecularWeight: 435.92438

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(CNC(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O)C4=CC=CS4

Isomeric SMILES

C1COCCN1[C@@H](CNC(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O)C4=CC=CS4

InChI

InChI=1S/C20H22ClN3O4S/c21-14-3-4-15-17(12-14)28-20(26)24(15)6-5-19(25)22-13-16(18-2-1-11-29-18)23-7-9-27-10-8-23/h1-4,11-12,16H,5-10,13H2,(H,22,25)/t16-/m0/s1