N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]-5-nitro-thiophene-2-carboxamide Openeye Name: N-[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]-5-nitro-thiophene-2-carboxamide CAS Name: N-[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1,3-benzothiazol-6-yl]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]-5-nitrothiophene-2-carboxamide Traditional Name: N-[2-[(3,5-dimethylisoxazol-4-yl)methylthio]-1,3-benzothiazol-6-yl]-5-nitro-thiophene-2-carboxamide Formula: C18H14N4O4S3 MolecularWeight: 446.52316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O4S3/c1-9-12(10(2)26-21-9)8-27-18-20-13-4-3-11(7-15(13)29-18)19-17(23)14-5-6-16(28-14)22(24)25/h3-7H,8H2,1-2H3,(H,19,23)