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

Systemtic Name: ethyl 4-[(E)-2-(5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-7-yl)prop-1-enyl]benzoate Openeye Name: ethyl 4-[(E)-2-(5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-7-yl)prop-1-enyl]benzoate CAS Name: 4-[(E)-2-(5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-7-yl)prop-1-enyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-(5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-7-yl)prop-1-enyl]benzoate Traditional Name: 4-[(E)-2-(5-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)SCCCC3C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)/C=C(\C)/C2=CC3=C(C=C2)SCCCC3C

InChI

InChI=1S/C23H26O2S/c1-4-25-23(24)19-9-7-18(8-10-19)14-17(3)20-11-12-22-21(15-20)16(2)6-5-13-26-22/h7-12,14-16H,4-6,13H2,1-3H3/b17-14+