4-[[(6R)-2-azanylidene-3-(indol-3-ylidenemethylamino)-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[(6R)-2-azanylidene-3-(indol-3-ylidenemethylamino)-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 4-[[(6R)-2-imino-3-(indol-3-ylidenemethylamino)-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 4-[[[(6R)-2-imino-3-(3-indolylidenemethylamino)-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[(6R)-2-imino-3-(indol-3-ylidenemethylamino)-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 4-[[(6R)-2-imino-3-(indol-3-ylidenemethylamino)-4-keto-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C21H17N5O4S MolecularWeight: 435.45578

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC(=N)N(C1=O)NC=C2C=NC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1[C@@H](SC(=N)N(C1=O)NC=C2C=NC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H17N5O4S/c22-21-26(24-11-13-10-23-16-4-2-1-3-15(13)16)18(27)9-17(31-21)19(28)25-14-7-5-12(6-8-14)20(29)30/h1-8,10-11,17,22,24H,9H2,(H,25,28)(H,29,30)/t17-/m1/s1