3-[4-(dimethylaminomethyl)-8-methoxy-1-oxidanylidene-2,3-dihydro-1$l^{4}-benzothiepin-5-yl]phenol

Systemtic Name: 3-[4-(dimethylaminomethyl)-8-methoxy-1-oxidanylidene-2,3-dihydro-1$l^{4}-benzothiepin-5-yl]phenol Openeye Name: 3-[4-(dimethylaminomethyl)-8-methoxy-1-oxo-2,3-dihydro-1$l^{4}-benzothiepin-5-yl]phenol CAS Name: 3-[4-(dimethylaminomethyl)-8-methoxy-1-oxo-2,3-dihydro-1$l^{4}-benzothiepin-5-yl]phenol IUPAC Name: 3-[4-(dimethylaminomethyl)-8-methoxy-1-oxo-2,3-dihydro-1$l^{4}-benzothiepin-5-yl]phenol Traditional Name: 3-[4-(dimethylaminomethyl)-1-keto-8-methoxy-2,3-dihydro-1$l^{4}-benzothiepin-5-yl]phenol Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C2=C(C=C(C=C2)OC)S(=O)CC1)C3=CC(=CC=C3)O

Isomeric SMILES

CN(C)CC1=C(C2=C(C=C(C=C2)OC)S(=O)CC1)C3=CC(=CC=C3)O

InChI

InChI=1S/C20H23NO3S/c1-21(2)13-15-9-10-25(23)19-12-17(24-3)7-8-18(19)20(15)14-5-4-6-16(22)11-14/h4-8,11-12,22H,9-10,13H2,1-3H3