(2R)-2-(9-acetamido-11-oxidanylidene-6H-benzo[c][1]benzothiepin-2-yl)propanoic acid

Systemtic Name: (2R)-2-(9-acetamido-11-oxidanylidene-6H-benzo[c][1]benzothiepin-2-yl)propanoic acid Openeye Name: (2R)-2-(9-acetamido-11-oxo-6H-benzo[c][1]benzothiepin-2-yl)propanoic acid CAS Name: (2R)-2-(9-acetamido-11-oxo-6H-benzo[c][1]benzothiepin-2-yl)propanoic acid IUPAC Name: (2R)-2-(9-acetamido-11-oxo-6H-benzo[c][1]benzothiepin-2-yl)propanoic acid Traditional Name: (2R)-2-(9-acetamido-11-keto-6H-benzo[c][1]benzothiepin-2-yl)propionic acid Formula: C19H17NO4S MolecularWeight: 355.40758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)SCC3=C(C2=O)C=C(C=C3)NC(=O)C)C(=O)O

Isomeric SMILES

C[C@H](C1=CC2=C(C=C1)SCC3=C(C2=O)C=C(C=C3)NC(=O)C)C(=O)O

InChI

InChI=1S/C19H17NO4S/c1-10(19(23)24)12-4-6-17-16(7-12)18(22)15-8-14(20-11(2)21)5-3-13(15)9-25-17/h3-8,10H,9H2,1-2H3,(H,20,21)(H,23,24)/t10-/m1/s1