methyl 2-(6-oxidanylidene-5H-benzo[b][1]benzothiepin-3-yl)propanoate

Systemtic Name: methyl 2-(6-oxidanylidene-5H-benzo[b][1]benzothiepin-3-yl)propanoate Openeye Name: methyl 2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)propanoate CAS Name: 2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)propanoate Traditional Name: 2-(6-keto-5H-benzo[b][1]benzothiepin-3-yl)propionic acid methyl ester Formula: C18H16O3S MolecularWeight: 312.38284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)C2)C(=O)OC

Isomeric SMILES

CC(C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)C2)C(=O)OC

InChI

InChI=1S/C18H16O3S/c1-11(18(20)21-2)12-7-8-16-13(9-12)10-15(19)14-5-3-4-6-17(14)22-16/h3-9,11H,10H2,1-2H3