N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzamide

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(2,5-dioxopyrrolidin-1-yl)benzamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(2,5-dioxo-1-pyrrolidinyl)benzamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(2,5-dioxopyrrolidin-1-yl)benzamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-3-succinimido-benzamide Formula: C23H18N4O4S MolecularWeight: 446.47842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O)S2)CC#C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O)S2)CC#C

InChI

InChI=1S/C23H18N4O4S/c1-3-11-26-18-8-7-16(24-14(2)28)13-19(18)32-23(26)25-22(31)15-5-4-6-17(12-15)27-20(29)9-10-21(27)30/h1,4-8,12-13H,9-11H2,2H3,(H,24,28)