N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: 2-[2-[(3-allyl-6-nitro-1,3-benzothiazol-2-ylidene)amino]-2-oxo-ethyl]sulfanyl-N-(5-methylisoxazol-3-yl)acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[2-[(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]thio]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetamide Traditional Name: 2-[[2-[(3-allyl-6-nitro-1,3-benzothiazol-2-ylidene)amino]-2-keto-ethyl]thio]-N-(5-methylisoxazol-3-yl)acetamide Formula: C18H17N5O5S2 MolecularWeight: 447.48808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSCC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC=C

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSCC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC=C

InChI

InChI=1S/C18H17N5O5S2/c1-3-6-22-13-5-4-12(23(26)27)8-14(13)30-18(22)20-17(25)10-29-9-16(24)19-15-7-11(2)28-21-15/h3-5,7-8H,1,6,9-10H2,2H3,(H,19,21,24)