ethyl 4-[(E)-2-(3-methyl-2,3,4,5-tetrahydro-1-benzothiepin-7-yl)prop-1-enyl]benzoate

Systemtic Name: ethyl 4-[(E)-2-(3-methyl-2,3,4,5-tetrahydro-1-benzothiepin-7-yl)prop-1-enyl]benzoate Openeye Name: ethyl 4-[(E)-2-(3-methyl-2,3,4,5-tetrahydro-1-benzothiepin-7-yl)prop-1-enyl]benzoate CAS Name: 4-[(E)-2-(3-methyl-2,3,4,5-tetrahydro-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-(3-methyl-2,3,4,5-tetrahydro-1-benzothiepin-7-yl)prop-1-enyl]benzoate Traditional Name: 4-[(E)-2-(3-methyl-2,3,4,5-tetrahydro-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid ethyl ester Formula: C23H26O2S MolecularWeight: 366.51634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C=C(C)C2=CC3=C(C=C2)SCC(CC3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)/C=C(\C)/C2=CC3=C(C=C2)SCC(CC3)C

InChI

InChI=1S/C23H26O2S/c1-4-25-23(24)19-9-6-18(7-10-19)13-17(3)20-11-12-22-21(14-20)8-5-16(2)15-26-22/h6-7,9-14,16H,4-5,8,15H2,1-3H3/b17-13+