methyl 4-[(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-(furan-2-ylmethyl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-(furan-2-ylmethyl)carbamoyl]benzoate Openeye Name: methyl 4-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-(2-furylmethyl)carbamoyl]benzoate CAS Name: 4-[[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-(2-furanylmethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-(furan-2-ylmethyl)carbamoyl]benzoate Traditional Name: 4-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-(2-furfuryl)carbamoyl]benzoic acid methyl ester Formula: C22H17ClN2O4S MolecularWeight: 440.89938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(S2)N(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)C(=O)OC)Cl

Isomeric SMILES

CC1=CC(=CC2=C1N=C(S2)N(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)C(=O)OC)Cl

InChI

InChI=1S/C22H17ClN2O4S/c1-13-10-16(23)11-18-19(13)24-22(30-18)25(12-17-4-3-9-29-17)20(26)14-5-7-15(8-6-14)21(27)28-2/h3-11H,12H2,1-2H3