3-ethoxy-4-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethoxy]benzaldehyde

Systemtic Name: 3-ethoxy-4-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethoxy]benzaldehyde Openeye Name: 3-ethoxy-4-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-ethoxy]benzaldehyde CAS Name: 3-ethoxy-4-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethoxy]benzaldehyde IUPAC Name: 3-ethoxy-4-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethoxy]benzaldehyde Traditional Name: 3-ethoxy-4-[2-keto-2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethoxy]benzaldehyde Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=O)OCC(=O)N2CCC(SC3=CC=CC=C32)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=O)OCC(=O)N2CC[C@H](SC3=CC=CC=C32)C

InChI

InChI=1S/C21H23NO4S/c1-3-25-19-12-16(13-23)8-9-18(19)26-14-21(24)22-11-10-15(2)27-20-7-5-4-6-17(20)22/h4-9,12-13,15H,3,10-11,14H2,1-2H3/t15-/m1/s1