[1-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-1-oxidanylidene-butan-2-yl] 2-cyanoethanoate

Systemtic Name: [1-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-1-oxidanylidene-butan-2-yl] 2-cyanoethanoate Openeye Name: 1-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]propyl 2-cyanoacetate CAS Name: 2-cyanoacetic acid [1-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-1-oxobutan-2-yl] 2-cyanoacetate Traditional Name: 2-cyanoacetic acid 1-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]propyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C)OC(=O)CC#N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C)OC(=O)CC#N

InChI

InChI=1S/C21H19N3O3S/c1-3-17(27-19(25)10-11-22)20(26)23-15-7-5-14(6-8-15)21-24-16-9-4-13(2)12-18(16)28-21/h4-9,12,17H,3,10H2,1-2H3,(H,23,26)