6-(2-methoxy-2-oxidanylidene-ethyl)-5,6-dihydrobenzo[b][1]benzothiepine-2-carboxylic acid

Systemtic Name: 6-(2-methoxy-2-oxidanylidene-ethyl)-5,6-dihydrobenzo[b][1]benzothiepine-2-carboxylic acid Openeye Name: 6-(2-methoxy-2-oxo-ethyl)-5,6-dihydrobenzo[b][1]benzothiepine-2-carboxylic acid CAS Name: 6-(2-methoxy-2-oxoethyl)-5,6-dihydrobenzo[b][1]benzothiepin-2-carboxylic acid IUPAC Name: 6-(2-methoxy-2-oxoethyl)-5,6-dihydrobenzo[b][1]benzothiepine-2-carboxylic acid Traditional Name: 6-(2-keto-2-methoxy-ethyl)-5,6-dihydrobenzo[b][1]benzothiepin-2-carboxylic acid Formula: C18H16O4S MolecularWeight: 328.38224

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CC2=C(C=C(C=C2)C(=O)O)SC3=CC=CC=C13

Isomeric SMILES

COC(=O)CC1CC2=C(C=C(C=C2)C(=O)O)SC3=CC=CC=C13

InChI

InChI=1S/C18H16O4S/c1-22-17(19)10-13-8-11-6-7-12(18(20)21)9-16(11)23-15-5-3-2-4-14(13)15/h2-7,9,13H,8,10H2,1H3,(H,20,21)