1-[4-(2,7-dimethoxy-6H-benzo[c][1]benzothiepin-11-ylidene)piperidin-1-yl]-4,4-dimethyl-pentan-3-one

Systemtic Name: 1-[4-(2,7-dimethoxy-6H-benzo[c][1]benzothiepin-11-ylidene)piperidin-1-yl]-4,4-dimethyl-pentan-3-one Openeye Name: 1-[4-(2,7-dimethoxy-6H-benzo[c][1]benzothiepin-11-ylidene)-1-piperidyl]-4,4-dimethyl-pentan-3-one CAS Name: 1-[4-(2,7-dimethoxy-6H-benzo[c][1]benzothiepin-11-ylidene)-1-piperidinyl]-4,4-dimethyl-3-pentanone IUPAC Name: 1-[4-(2,7-dimethoxy-6H-benzo[c][1]benzothiepin-11-ylidene)piperidin-1-yl]-4,4-dimethylpentan-3-one Traditional Name: 1-[4-(2,7-dimethoxy-6H-benzo[c][1]benzothiepin-11-ylidene)piperidino]-4,4-dimethyl-pentan-3-one Formula: C28H35NO3S MolecularWeight: 465.6474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CCN1CCC(=C2C3=C(CSC4=C2C=C(C=C4)OC)C(=CC=C3)OC)CC1

Isomeric SMILES

CC(C)(C)C(=O)CCN1CCC(=C2C3=C(CSC4=C2C=C(C=C4)OC)C(=CC=C3)OC)CC1

InChI

InChI=1S/C28H35NO3S/c1-28(2,3)26(30)13-16-29-14-11-19(12-15-29)27-21-7-6-8-24(32-5)23(21)18-33-25-10-9-20(31-4)17-22(25)27/h6-10,17H,11-16,18H2,1-5H3