(E)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-benzyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-benzyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-benzyl-N-(6-mesyl-1,3-benzothiazol-2-yl)-3-(2-thienyl)acrylamide Formula: C22H18N2O3S3 MolecularWeight: 454.58492

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C=CC4=CC=CS4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)/C=C/C4=CC=CS4

InChI

InChI=1S/C22H18N2O3S3/c1-30(26,27)18-10-11-19-20(14-18)29-22(23-19)24(15-16-6-3-2-4-7-16)21(25)12-9-17-8-5-13-28-17/h2-14H,15H2,1H3/b12-9+