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

Systemtic Name: methyl 2-(6-oxidanylidene-5H-benzo[b][1]benzothiepin-3-yl)ethanoate Openeye Name: methyl 2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)acetate CAS Name: 2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)acetic acid methyl ester IUPAC Name: methyl 2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)acetate Traditional Name: 2-(6-keto-5H-benzo[b][1]benzothiepin-3-yl)acetic acid methyl ester Formula: C17H14O3S MolecularWeight: 298.35626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)C2

Isomeric SMILES

COC(=O)CC1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)C2

InChI

InChI=1S/C17H14O3S/c1-20-17(19)9-11-6-7-15-12(8-11)10-14(18)13-4-2-3-5-16(13)21-15/h2-8H,9-10H2,1H3