3-methylbutyl 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethanoate

Systemtic Name: 3-methylbutyl 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethanoate Openeye Name: isopentyl 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetate CAS Name: 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetate Traditional Name: 2-(11-keto-6H-benzo[c][1]benzothiepin-3-yl)acetic acid isoamyl ester Formula: C21H22O3S MolecularWeight: 354.46258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2

Isomeric SMILES

CC(C)CCOC(=O)CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2

InChI

InChI=1S/C21H22O3S/c1-14(2)9-10-24-20(22)12-15-7-8-18-19(11-15)25-13-16-5-3-4-6-17(16)21(18)23/h3-8,11,14H,9-10,12-13H2,1-2H3