4-[[2-azanylidene-4-oxidanylidene-3-(1-thiophen-2-ylethenylamino)-1,3-thiazinan-6-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[2-azanylidene-4-oxidanylidene-3-(1-thiophen-2-ylethenylamino)-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 4-[[2-imino-4-oxo-3-[1-(2-thienyl)vinylamino]-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 4-[[[2-imino-4-oxo-3-(1-thiophen-2-ylethenylamino)-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-imino-4-oxo-3-(1-thiophen-2-ylethenylamino)-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 4-[[2-imino-4-keto-3-[1-(2-thienyl)vinylamino]-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C18H16N4O4S2 MolecularWeight: 416.47404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC=CS1)NN2C(=O)CC(SC2=N)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C=C(C1=CC=CS1)NN2C(=O)CC(SC2=N)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H16N4O4S2/c1-10(13-3-2-8-27-13)21-22-15(23)9-14(28-18(22)19)16(24)20-12-6-4-11(5-7-12)17(25)26/h2-8,14,19,21H,1,9H2,(H,20,24)(H,25,26)