2-hydroxyethyl 5-oxidanylidene-6H-benzo[b][1]benzothiepine-2-carboxylate

Systemtic Name: 2-hydroxyethyl 5-oxidanylidene-6H-benzo[b][1]benzothiepine-2-carboxylate Openeye Name: 2-hydroxyethyl 5-oxo-6H-benzo[b][1]benzothiepine-2-carboxylate CAS Name: 5-oxo-6H-benzo[b][1]benzothiepin-2-carboxylic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 5-oxo-6H-benzo[b][1]benzothiepine-2-carboxylate Traditional Name: 5-keto-6H-benzo[b][1]benzothiepin-2-carboxylic acid 2-hydroxyethyl ester Formula: C17H14O4S MolecularWeight: 314.35566

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2SC3=C(C1=O)C=CC(=C3)C(=O)OCCO

Isomeric SMILES

C1C2=CC=CC=C2SC3=C(C1=O)C=CC(=C3)C(=O)OCCO

InChI

InChI=1S/C17H14O4S/c18-7-8-21-17(20)12-5-6-13-14(19)9-11-3-1-2-4-15(11)22-16(13)10-12/h1-6,10,18H,7-9H2