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

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

Systemtic Name:methyl 7-(4-methoxyphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate
Openeye Name:methyl 7-(4-methoxyphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate
CAS Name:7-(4-methoxyphenyl)-2,3-dihydro-1-benzothiepin-4-carboxylic acid methyl ester
IUPAC Name:methyl 7-(4-methoxyphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate
Traditional Name:7-(4-methoxyphenyl)-2,3-dihydro-1-benzothiepin-4-carboxylic acid methyl ester
Formula: C19H18O3S
MolecularWeight: 326.40942
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=C(C=C2)SCCC(=C3)C(=O)OC


Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=C(C=C2)SCCC(=C3)C(=O)OC


InChI

InChI=1S/C19H18O3S/c1-21-17-6-3-13(4-7-17)14-5-8-18-16(11-14)12-15(9-10-23-18)19(20)22-2/h3-8,11-12H,9-10H2,1-2H3


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