5-[(5S)-5-methyl-2-oxidanylidene-5-thiophen-3-yl-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile

Systemtic Name: 5-[(5S)-5-methyl-2-oxidanylidene-5-thiophen-3-yl-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile Openeye Name: 5-[(5S)-5-methyl-2-oxo-5-(3-thienyl)-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile CAS Name: 5-[(5S)-5-methyl-2-oxo-5-(3-thiophenyl)-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile IUPAC Name: 5-[(5S)-5-methyl-2-oxo-5-thiophen-3-yl-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile Traditional Name: 5-[(5S)-2-keto-5-methyl-5-(3-thienyl)-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile Formula: C19H15N3O2S MolecularWeight: 349.4063

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC=C(N3)C#N)NC(=O)CO1)C4=CSC=C4

Isomeric SMILES

C[C@]1(C2=C(C=CC(=C2)C3=CC=C(N3)C#N)NC(=O)CO1)C4=CSC=C4

InChI

InChI=1S/C19H15N3O2S/c1-19(13-6-7-25-11-13)15-8-12(16-5-3-14(9-20)21-16)2-4-17(15)22-18(23)10-24-19/h2-8,11,21H,10H2,1H3,(H,22,23)/t19-/m1/s1