methyl 4-[(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate

Systemtic Name: methyl 4-[(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Openeye Name: methyl 4-[(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate CAS Name: 4-[oxo-[(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Traditional Name: 4-[(3-propargyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoic acid methyl ester Formula: C19H14N2O3S MolecularWeight: 350.39106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=CC=CC=C3S2)CC#C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=CC=CC=C3S2)CC#C

InChI

InChI=1S/C19H14N2O3S/c1-3-12-21-15-6-4-5-7-16(15)25-19(21)20-17(22)13-8-10-14(11-9-13)18(23)24-2/h1,4-11H,12H2,2H3