2-[(5S)-2-(1,3-benzothiazol-2-ylimino)-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)ethanamide

Systemtic Name: 2-[(5S)-2-(1,3-benzothiazol-2-ylimino)-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[(5S)-3-allyl-2-(1,3-benzothiazol-2-ylimino)-4-oxo-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide CAS Name: 2-[(5S)-2-(1,3-benzothiazol-2-ylimino)-4-oxo-3-prop-2-enyl-5-thiazolidinyl]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[(5S)-2-(1,3-benzothiazol-2-ylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide Traditional Name: 2-[(5S)-3-allyl-2-(1,3-benzothiazol-2-ylimino)-4-keto-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide Formula: C21H17N5O4S2 MolecularWeight: 467.52078

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(SC1=NC2=NC3=CC=CC=C3S2)CC(=O)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C=CCN1C(=O)[C@@H](SC1=NC2=NC3=CC=CC=C3S2)CC(=O)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O4S2/c1-2-11-25-19(28)17(12-18(27)22-13-7-3-5-9-15(13)26(29)30)32-21(25)24-20-23-14-8-4-6-10-16(14)31-20/h2-10,17H,1,11-12H2,(H,22,27)/t17-/m0/s1