9H-fluoren-9-ylmethyl 2-cyano-5-(5-methyl-2-oxidanylidene-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)pyrrole-1-carboxylate

Systemtic Name: 9H-fluoren-9-ylmethyl 2-cyano-5-(5-methyl-2-oxidanylidene-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)pyrrole-1-carboxylate Openeye Name: 9H-fluoren-9-ylmethyl 2-cyano-5-[5-methyl-2-oxo-5-(2-thienyl)-1H-4,1-benzoxazepin-7-yl]pyrrole-1-carboxylate CAS Name: 2-cyano-5-(5-methyl-2-oxo-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)-1-pyrrolecarboxylic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl 2-cyano-5-(5-methyl-2-oxo-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)pyrrole-1-carboxylate Traditional Name: 2-cyano-5-[2-keto-5-methyl-5-(2-thienyl)-1H-4,1-benzoxazepin-7-yl]pyrrole-1-carboxylic acid 9H-fluoren-9-ylmethyl ester Formula: C34H25N3O4S MolecularWeight: 571.645

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC=C(N3C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)C#N)NC(=O)CO1)C7=CC=CS7

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC=C(N3C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)C#N)NC(=O)CO1)C7=CC=CS7

InChI

InChI=1S/C34H25N3O4S/c1-34(31-11-6-16-42-31)28-17-21(12-14-29(28)36-32(38)20-41-34)30-15-13-22(18-35)37(30)33(39)40-19-27-25-9-4-2-7-23(25)24-8-3-5-10-26(24)27/h2-17,27H,19-20H2,1H3,(H,36,38)