N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

Systemtic Name: N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide Openeye Name: N-[(4S)-6-chlorothiochroman-4-yl]-3-(3,5-dimethylisoxazol-4-yl)propanamide CAS Name: N-[(4S)-6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-(3,5-dimethyl-4-isoxazolyl)propanamide IUPAC Name: N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide Traditional Name: N-[(4S)-6-chlorothiochroman-4-yl]-3-(3,5-dimethylisoxazol-4-yl)propionamide Formula: C17H19ClN2O2S MolecularWeight: 350.86296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CCC(=O)NC2CCSC3=C2C=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=NO1)C)CCC(=O)N[C@H]2CCSC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C17H19ClN2O2S/c1-10-13(11(2)22-20-10)4-6-17(21)19-15-7-8-23-16-5-3-12(18)9-14(15)16/h3,5,9,15H,4,6-8H2,1-2H3,(H,19,21)/t15-/m0/s1