ethyl (2E,4E)-5-(7-methoxy-3,3-dimethyl-2H-1-benzothiepin-5-yl)-3-methyl-penta-2,4-dienoate

Systemtic Name: ethyl (2E,4E)-5-(7-methoxy-3,3-dimethyl-2H-1-benzothiepin-5-yl)-3-methyl-penta-2,4-dienoate Openeye Name: ethyl (2E,4E)-5-(7-methoxy-3,3-dimethyl-2H-1-benzothiepin-5-yl)-3-methyl-penta-2,4-dienoate CAS Name: (2E,4E)-5-(7-methoxy-3,3-dimethyl-2H-1-benzothiepin-5-yl)-3-methylpenta-2,4-dienoic acid ethyl ester IUPAC Name: ethyl (2E,4E)-5-(7-methoxy-3,3-dimethyl-2H-1-benzothiepin-5-yl)-3-methylpenta-2,4-dienoate Traditional Name: (2E,4E)-5-(7-methoxy-3,3-dimethyl-2H-1-benzothiepin-5-yl)-3-methyl-penta-2,4-dienoic acid ethyl ester Formula: C21H26O3S MolecularWeight: 358.49434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O3S/c1-6-24-20(22)11-15(2)7-8-16-13-21(3,4)14-25-19-10-9-17(23-5)12-18(16)19/h7-13H,6,14H2,1-5H3/b8-7+,15-11+