2-[2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]ethanoic acid

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]ethanoic acid Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]acetic acid CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]acetic acid IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]acetic acid Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]acetic acid Formula: C18H15NO5S MolecularWeight: 357.3804

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3C(C(=O)NC4=CC=CC=C4S3)CC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3C(C(=O)NC4=CC=CC=C4S3)CC(=O)O

InChI

InChI=1S/C18H15NO5S/c20-16(21)8-11-17(10-5-6-13-14(7-10)24-9-23-13)25-15-4-2-1-3-12(15)19-18(11)22/h1-7,11,17H,8-9H2,(H,19,22)(H,20,21)