4-(4-chlorophenyl)sulfonyl-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide

Systemtic Name: 4-(4-chlorophenyl)sulfonyl-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: 4-(4-chlorophenyl)sulfonyl-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-(4-chlorophenyl)sulfonyl-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(4-chlorophenyl)sulfonyl-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-(4-chlorophenyl)sulfonyl-N-(6-methoxy-3-propargyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C21H19ClN2O4S2 MolecularWeight: 462.96956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)Cl)S2)CC#C

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)Cl)S2)CC#C

InChI

InChI=1S/C21H19ClN2O4S2/c1-3-12-24-18-11-8-16(28-2)14-19(18)29-21(24)23-20(25)5-4-13-30(26,27)17-9-6-15(22)7-10-17/h1,6-11,14H,4-5,12-13H2,2H3