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

Systemtic Name: methyl 4-[(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Openeye Name: methyl 4-[(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate CAS Name: 4-[[(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Traditional Name: 4-[(6-ethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoic acid methyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)OC)S2)CC#C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)OC)S2)CC#C

InChI

InChI=1S/C21H18N2O4S/c1-4-12-23-17-11-10-16(27-5-2)13-18(17)28-21(23)22-19(24)14-6-8-15(9-7-14)20(25)26-3/h1,6-11,13H,5,12H2,2-3H3