N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]-4-(4-ethanoylphenoxy)butanamide

Systemtic Name: N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]-4-(4-ethanoylphenoxy)butanamide Openeye Name: 4-(4-acetylphenoxy)-N-[(4S)-6-chlorothiochroman-4-yl]butanamide CAS Name: 4-(4-acetylphenoxy)-N-[(4S)-6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl]butanamide IUPAC Name: 4-(4-acetylphenoxy)-N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]butanamide Traditional Name: 4-(4-acetylphenoxy)-N-[(4S)-6-chlorothiochroman-4-yl]butyramide Formula: C21H22ClNO3S MolecularWeight: 403.92228

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCCCC(=O)NC2CCSC3=C2C=C(C=C3)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCCCC(=O)N[C@H]2CCSC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C21H22ClNO3S/c1-14(24)15-4-7-17(8-5-15)26-11-2-3-21(25)23-19-10-12-27-20-9-6-16(22)13-18(19)20/h4-9,13,19H,2-3,10-12H2,1H3,(H,23,25)/t19-/m0/s1