(2Z,4E)-5-(7-methoxy-3,3-dimethyl-2H-1-benzothiepin-5-yl)-3-methyl-penta-2,4-dienoic acid

Systemtic Name: (2Z,4E)-5-(7-methoxy-3,3-dimethyl-2H-1-benzothiepin-5-yl)-3-methyl-penta-2,4-dienoic acid Openeye Name: (2Z,4E)-5-(7-methoxy-3,3-dimethyl-2H-1-benzothiepin-5-yl)-3-methyl-penta-2,4-dienoic acid CAS Name: (2Z,4E)-5-(7-methoxy-3,3-dimethyl-2H-1-benzothiepin-5-yl)-3-methylpenta-2,4-dienoic acid IUPAC Name: (2Z,4E)-5-(7-methoxy-3,3-dimethyl-2H-1-benzothiepin-5-yl)-3-methylpenta-2,4-dienoic acid Traditional Name: (2Z,4E)-5-(7-methoxy-3,3-dimethyl-2H-1-benzothiepin-5-yl)-3-methyl-penta-2,4-dienoic acid Formula: C19H22O3S MolecularWeight: 330.44118

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C=CC1=CC(CSC2=C1C=C(C=C2)OC)(C)C

Isomeric SMILES

C/C(=C/C(=O)O)/C=C/C1=CC(CSC2=C1C=C(C=C2)OC)(C)C

InChI

InChI=1S/C19H22O3S/c1-13(9-18(20)21)5-6-14-11-19(2,3)12-23-17-8-7-15(22-4)10-16(14)17/h5-11H,12H2,1-4H3,(H,20,21)/b6-5+,13-9-