3-(2-carboxyethyl)-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylic acid

Systemtic Name: 3-(2-carboxyethyl)-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylic acid Openeye Name: 3-(2-carboxyethyl)-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylic acid CAS Name: 3-(2-carboxyethyl)-5,6-dihydrobenzo[b][1]benzothiepin-9-carboxylic acid IUPAC Name: 3-(2-carboxyethyl)-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylic acid Traditional Name: 3-(2-carboxyethyl)-5,6-dihydrobenzo[b][1]benzothiepin-9-carboxylic acid Formula: C18H16O4S MolecularWeight: 328.38224

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)CCC(=O)O)SC3=C1C=CC(=C3)C(=O)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)CCC(=O)O)SC3=C1C=CC(=C3)C(=O)O

InChI

InChI=1S/C18H16O4S/c19-17(20)8-2-11-1-7-15-13(9-11)5-3-12-4-6-14(18(21)22)10-16(12)23-15/h1,4,6-7,9-10H,2-3,5,8H2,(H,19,20)(H,21,22)