2-[5-[2-[(4-cyanothiophen-2-yl)methylamino]-2-oxidanylidene-ethyl]-6-oxidanylidene-11H-benzo[c][1]benzazepin-11-yl]propanoic acid

Systemtic Name: 2-[5-[2-[(4-cyanothiophen-2-yl)methylamino]-2-oxidanylidene-ethyl]-6-oxidanylidene-11H-benzo[c][1]benzazepin-11-yl]propanoic acid Openeye Name: 2-[5-[2-[(4-cyano-2-thienyl)methylamino]-2-oxo-ethyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]propanoic acid CAS Name: 2-[5-[2-[(4-cyano-2-thiophenyl)methylamino]-2-oxoethyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]propanoic acid IUPAC Name: 2-[5-[2-[(4-cyanothiophen-2-yl)methylamino]-2-oxoethyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]propanoic acid Traditional Name: 2-[5-[2-[(4-cyano-2-thienyl)methylamino]-2-keto-ethyl]-6-keto-11H-benzo[c][1]benzazepin-11-yl]propionic acid Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2=CC=CC=C2C(=O)N(C3=CC=CC=C13)CC(=O)NCC4=CC(=CS4)C#N)C(=O)O

Isomeric SMILES

CC(C1C2=CC=CC=C2C(=O)N(C3=CC=CC=C13)CC(=O)NCC4=CC(=CS4)C#N)C(=O)O

InChI

InChI=1S/C25H21N3O4S/c1-15(25(31)32)23-18-6-2-3-7-19(18)24(30)28(21-9-5-4-8-20(21)23)13-22(29)27-12-17-10-16(11-26)14-33-17/h2-10,14-15,23H,12-13H2,1H3,(H,27,29)(H,31,32)