2-(7-methyl-5-oxidanylidene-3,4-dihydro-2H-1-benzothiepin-4-yl)ethanoic acid

Systemtic Name: 2-(7-methyl-5-oxidanylidene-3,4-dihydro-2H-1-benzothiepin-4-yl)ethanoic acid Openeye Name: 2-(7-methyl-5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)acetic acid CAS Name: 2-(7-methyl-5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)acetic acid IUPAC Name: 2-(7-methyl-5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)acetic acid Traditional Name: 2-(5-keto-7-methyl-3,4-dihydro-2H-1-benzothiepin-4-yl)acetic acid Formula: C13H14O3S MolecularWeight: 250.31346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SCCC(C2=O)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)SCCC(C2=O)CC(=O)O

InChI

InChI=1S/C13H14O3S/c1-8-2-3-11-10(6-8)13(16)9(4-5-17-11)7-12(14)15/h2-3,6,9H,4-5,7H2,1H3,(H,14,15)