methyl 4-[(7-chloranyl-4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate

Systemtic Name: methyl 4-[(7-chloranyl-4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Openeye Name: methyl 4-[(7-chloro-4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate CAS Name: 4-[[(7-chloro-4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(7-chloro-4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Traditional Name: 4-[(7-chloro-4-methoxy-3-propargyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoic acid methyl ester Formula: C20H15ClN2O4S MolecularWeight: 414.8621

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)Cl)SC(=NC(=O)C3=CC=C(C=C3)C(=O)OC)N2CC#C

Isomeric SMILES

COC1=C2C(=C(C=C1)Cl)SC(=NC(=O)C3=CC=C(C=C3)C(=O)OC)N2CC#C

InChI

InChI=1S/C20H15ClN2O4S/c1-4-11-23-16-15(26-2)10-9-14(21)17(16)28-20(23)22-18(24)12-5-7-13(8-6-12)19(25)27-3/h1,5-10H,11H2,2-3H3