furan-2-ylmethyl 6-oxidanylidene-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxylate

Systemtic Name: furan-2-ylmethyl 6-oxidanylidene-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: 2-furylmethyl 5-allyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 6-oxo-5-prop-2-enyl-3-benzo[b][1,4]benzothiazepinecarboxylic acid 2-furanylmethyl ester IUPAC Name: furan-2-ylmethyl 6-oxo-5-prop-2-enylbenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 5-allyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxylic acid 2-furfuryl ester Formula: C22H17NO4S MolecularWeight: 391.43968

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=CC(=C2)C(=O)OCC3=CC=CO3)SC4=CC=CC=C4C1=O

Isomeric SMILES

C=CCN1C2=C(C=CC(=C2)C(=O)OCC3=CC=CO3)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C22H17NO4S/c1-2-11-23-18-13-15(22(25)27-14-16-6-5-12-26-16)9-10-20(18)28-19-8-4-3-7-17(19)21(23)24/h2-10,12-13H,1,11,14H2