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methyl 7-(4-methylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate

methyl 7-(4-methylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate

Systemtic Name:methyl 7-(4-methylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate
Openeye Name:methyl 7-(p-tolyl)-2,3-dihydro-1-benzothiepine-4-carboxylate
CAS Name:7-(4-methylphenyl)-2,3-dihydro-1-benzothiepin-4-carboxylic acid methyl ester
IUPAC Name:methyl 7-(4-methylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate
Traditional Name:7-(p-tolyl)-2,3-dihydro-1-benzothiepin-4-carboxylic acid methyl ester
Formula: C19H18O2S
MolecularWeight: 310.41002
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)SCCC(=C3)C(=O)OC


Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)SCCC(=C3)C(=O)OC


InChI

InChI=1S/C19H18O2S/c1-13-3-5-14(6-4-13)15-7-8-18-17(11-15)12-16(9-10-22-18)19(20)21-2/h3-8,11-12H,9-10H2,1-2H3


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