3-[2-[(2R,4S)-3-azanylidene-5-oxidanylidene-4-[(phenylmethylidene)amino]thiolan-2-yl]ethanoylamino]benzoate

Systemtic Name: 3-[2-[(2R,4S)-3-azanylidene-5-oxidanylidene-4-[(phenylmethylidene)amino]thiolan-2-yl]ethanoylamino]benzoate Openeye Name: 3-[[2-[(2R,4S)-4-(benzylideneamino)-3-imino-5-oxo-tetrahydrothiophen-2-yl]acetyl]amino]benzoate CAS Name: 3-[[2-[(2R,4S)-3-imino-5-oxo-4-[(phenylmethylene)amino]-2-thiolanyl]-1-oxoethyl]amino]benzoate IUPAC Name: 3-[[2-[(2R,4S)-4-(benzylideneamino)-3-imino-5-oxothiolan-2-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(2R,4S)-4-(benzalamino)-3-imino-5-keto-tetrahydrothiophen-2-yl]acetyl]amino]benzoate Formula: C20H16N3O4S- MolecularWeight: 394.42374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=NC2C(=N)C(SC2=O)CC(=O)NC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C=N[C@H]2C(=N)[C@H](SC2=O)CC(=O)NC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C20H17N3O4S/c21-17-15(10-16(24)23-14-8-4-7-13(9-14)19(25)26)28-20(27)18(17)22-11-12-5-2-1-3-6-12/h1-9,11,15,18,21H,10H2,(H,23,24)(H,25,26)/p-1/t15-,18+/m1/s1