(4E)-4-(4,4-dimethyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene)-5,5-dimethyl-thiolan-3-one

Systemtic Name: (4E)-4-(4,4-dimethyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene)-5,5-dimethyl-thiolan-3-one Openeye Name: (4E)-4-(4,4-dimethyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene)-5,5-dimethyl-tetrahydrothiophen-3-one CAS Name: (4E)-4-(4,4-dimethyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene)-5,5-dimethyl-3-thiolanone IUPAC Name: (4E)-4-(4,4-dimethyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene)-5,5-dimethylthiolan-3-one Traditional Name: (4E)-4-(4,4-dimethyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene)-5,5-dimethyl-tetrahydrothiophen-3-one Formula: C17H22N2OS MolecularWeight: 302.43438

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C2C(=O)CSC2(C)C)NC3=CC=CC=C3N1)C

Isomeric SMILES

CC1(C/C(=C\2/C(=O)CSC2(C)C)/NC3=CC=CC=C3N1)C

InChI

InChI=1S/C17H22N2OS/c1-16(2)9-13(15-14(20)10-21-17(15,3)4)18-11-7-5-6-8-12(11)19-16/h5-8,18-19H,9-10H2,1-4H3/b15-13+