7-methoxy-4-[[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methyl]chromen-2-one

Systemtic Name: 7-methoxy-4-[[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methyl]chromen-2-one Openeye Name: 7-methoxy-4-[[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methyl]chromen-2-one CAS Name: 7-methoxy-4-[[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methyl]chromen-2-one Traditional Name: 7-methoxy-4-[[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methyl]coumarin Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)CC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)CC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C21H21NO3S/c1-14-9-10-22(18-5-3-4-6-20(18)26-14)13-15-11-21(23)25-19-12-16(24-2)7-8-17(15)19/h3-8,11-12,14H,9-10,13H2,1-2H3/t14-/m0/s1