methyl 7-(4-methylthiophen-2-yl)-2,3-dihydro-1-benzoxepine-4-carboxylate

Systemtic Name: methyl 7-(4-methylthiophen-2-yl)-2,3-dihydro-1-benzoxepine-4-carboxylate Openeye Name: methyl 7-(4-methyl-2-thienyl)-2,3-dihydro-1-benzoxepine-4-carboxylate CAS Name: 7-(4-methyl-2-thiophenyl)-2,3-dihydro-1-benzoxepin-4-carboxylic acid methyl ester IUPAC Name: methyl 7-(4-methylthiophen-2-yl)-2,3-dihydro-1-benzoxepine-4-carboxylate Traditional Name: 7-(4-methyl-2-thienyl)-2,3-dihydro-1-benzoxepin-4-carboxylic acid methyl ester Formula: C17H16O3S MolecularWeight: 300.37214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)OC

Isomeric SMILES

CC1=CSC(=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)OC

InChI

InChI=1S/C17H16O3S/c1-11-7-16(21-10-11)12-3-4-15-14(8-12)9-13(5-6-20-15)17(18)19-2/h3-4,7-10H,5-6H2,1-2H3