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

Systemtic Name: methyl 4-[2-dimethylaminoethyl-(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate Openeye Name: methyl 4-[2-dimethylaminoethyl-(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate CAS Name: 4-[[2-dimethylaminoethyl-(6-methyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-dimethylaminoethyl-(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate Traditional Name: 4-[2-dimethylaminoethyl-(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid methyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H23N3O3S/c1-14-5-10-17-18(13-14)28-21(22-17)24(12-11-23(2)3)19(25)15-6-8-16(9-7-15)20(26)27-4/h5-10,13H,11-12H2,1-4H3