furan-2-ylmethyl 6-oxidanylidene-5-(2-oxidanylidene-2-phenylazanyl-ethyl)benzo[b][1,4]benzothiazepine-3-carboxylate

Systemtic Name: furan-2-ylmethyl 6-oxidanylidene-5-(2-oxidanylidene-2-phenylazanyl-ethyl)benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: 2-furylmethyl 5-(2-anilino-2-oxo-ethyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 5-(2-anilino-2-oxoethyl)-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxylic acid 2-furanylmethyl ester IUPAC Name: furan-2-ylmethyl 5-(2-anilino-2-oxoethyl)-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 5-(2-anilino-2-keto-ethyl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxylic acid 2-furfuryl ester Formula: C27H20N2O5S MolecularWeight: 484.5231

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CN2C3=C(C=CC(=C3)C(=O)OCC4=CC=CO4)SC5=CC=CC=C5C2=O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CN2C3=C(C=CC(=C3)C(=O)OCC4=CC=CO4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C27H20N2O5S/c30-25(28-19-7-2-1-3-8-19)16-29-22-15-18(27(32)34-17-20-9-6-14-33-20)12-13-24(22)35-23-11-5-4-10-21(23)26(29)31/h1-15H,16-17H2,(H,28,30)