tert-butyl 2-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate CAS Name: 2-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate Traditional Name: 2-[2-keto-3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid tert-butyl ester Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SC2CCC3=CC=CC=C3N(C2=O)CC(=O)OC(C)(C)C

Isomeric SMILES

CC1=NN=C(S1)SC2CCC3=CC=CC=C3N(C2=O)CC(=O)OC(C)(C)C

InChI

InChI=1S/C19H23N3O3S2/c1-12-20-21-18(26-12)27-15-10-9-13-7-5-6-8-14(13)22(17(15)24)11-16(23)25-19(2,3)4/h5-8,15H,9-11H2,1-4H3