methyl 4-[(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate

Systemtic Name: methyl 4-[(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Openeye Name: methyl 4-[(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate CAS Name: 4-[[(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Traditional Name: 4-[(6-methoxy-3-propargyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoic acid methyl ester Formula: C20H16N2O4S MolecularWeight: 380.41704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O4S/c1-4-11-22-16-10-9-15(25-2)12-17(16)27-20(22)21-18(23)13-5-7-14(8-6-13)19(24)26-3/h1,5-10,12H,11H2,2-3H3