4-[(16-ethoxycarbonyl-14-thiabicyclo[11.3.0]hexadeca-1(13),15-dien-15-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(16-ethoxycarbonyl-14-thiabicyclo[11.3.0]hexadeca-1(13),15-dien-15-yl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-[(16-ethoxycarbonyl-14-thiabicyclo[11.3.0]hexadeca-1(13),15-dien-15-yl)amino]-4-oxo-butanoate CAS Name: 4-[(16-ethoxycarbonyl-14-thiabicyclo[11.3.0]hexadeca-1(13),15-dien-15-yl)amino]-4-oxobutanoate IUPAC Name: 4-[(16-ethoxycarbonyl-14-thiabicyclo[11.3.0]hexadeca-1(13),15-dien-15-yl)amino]-4-oxobutanoate Traditional Name: 4-[(16-carbethoxy-14-thiabicyclo[11.3.0]hexadeca-1(13),15-dien-15-yl)amino]-4-keto-butyrate Formula: C22H32NO5S- MolecularWeight: 422.55818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCCCCCCCC2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCCCCCCCC2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C22H33NO5S/c1-2-28-22(27)20-16-12-10-8-6-4-3-5-7-9-11-13-17(16)29-21(20)23-18(24)14-15-19(25)26/h2-15H2,1H3,(H,23,24)(H,25,26)/p-1