4-[3-ethyl-8-methoxy-1,1-bis(oxidanylidene)-5-phenyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepin-3-yl]butan-2-one

Systemtic Name: 4-[3-ethyl-8-methoxy-1,1-bis(oxidanylidene)-5-phenyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepin-3-yl]butan-2-one Openeye Name: 4-(3-ethyl-8-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepin-3-yl)butan-2-one CAS Name: 4-(3-ethyl-8-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepin-3-yl)-2-butanone IUPAC Name: 4-(3-ethyl-8-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepin-3-yl)butan-2-one Traditional Name: 4-(3-ethyl-1,1-diketo-8-methoxy-5-phenyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepin-3-yl)butan-2-one Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CS(=O)(=O)C2=C(C=CC(=C2)OC)C(N1)C3=CC=CC=C3)CCC(=O)C

Isomeric SMILES

CCC1(CS(=O)(=O)C2=C(C=CC(=C2)OC)C(N1)C3=CC=CC=C3)CCC(=O)C

InChI

InChI=1S/C22H27NO4S/c1-4-22(13-12-16(2)24)15-28(25,26)20-14-18(27-3)10-11-19(20)21(23-22)17-8-6-5-7-9-17/h5-11,14,21,23H,4,12-13,15H2,1-3H3