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

Systemtic Name: methyl 4-[(4-chloranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Openeye Name: methyl 4-[(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate CAS Name: 4-[[(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Traditional Name: 4-[(4-chloro-3-propargyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoic acid methyl ester Formula: C19H13ClN2O3S MolecularWeight: 384.83612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=CC=C3Cl)CC#C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=CC=C3Cl)CC#C

InChI

InChI=1S/C19H13ClN2O3S/c1-3-11-22-16-14(20)5-4-6-15(16)26-19(22)21-17(23)12-7-9-13(10-8-12)18(24)25-2/h1,4-10H,11H2,2H3