7-(4-methylthiophen-2-yl)-2,3-dihydro-1-benzoxepine-4-carboxylic acid

Systemtic Name: 7-(4-methylthiophen-2-yl)-2,3-dihydro-1-benzoxepine-4-carboxylic acid Openeye Name: 7-(4-methyl-2-thienyl)-2,3-dihydro-1-benzoxepine-4-carboxylic acid CAS Name: 7-(4-methyl-2-thiophenyl)-2,3-dihydro-1-benzoxepin-4-carboxylic acid IUPAC Name: 7-(4-methylthiophen-2-yl)-2,3-dihydro-1-benzoxepine-4-carboxylic acid Traditional Name: 7-(4-methyl-2-thienyl)-2,3-dihydro-1-benzoxepin-4-carboxylic acid Formula: C16H14O3S MolecularWeight: 286.34556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14O3S/c1-10-6-15(20-9-10)11-2-3-14-13(7-11)8-12(16(17)18)4-5-19-14/h2-3,6-9H,4-5H2,1H3,(H,17,18)