N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(5-nitrofuran-2-yl)prop-2-enamide

Systemtic Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(5-nitrofuran-2-yl)prop-2-enamide Openeye Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(5-nitro-2-furyl)prop-2-enamide CAS Name: N-[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]-3-(5-nitro-2-furanyl)-2-propenamide IUPAC Name: N-[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(5-nitrofuran-2-yl)prop-2-enamide Traditional Name: N-[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]-3-(5-nitro-2-furyl)acrylamide Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C=CC3=CC=C(O3)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C=CC3=CC=C(O3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H21N3O5S2/c1-20(2,27-3)10-11-29-19-22-15-7-4-13(12-16(15)30-19)21-17(24)8-5-14-6-9-18(28-14)23(25)26/h4-9,12H,10-11H2,1-3H3,(H,21,24)