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

Systemtic Name: methyl 4-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)carbamoyl]benzoate Openeye Name: methyl 4-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)carbamoyl]benzoate CAS Name: 4-[oxo-[[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)carbamoyl]benzoate Traditional Name: 4-[(2-pyrrolidino-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid methyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4

InChI

InChI=1S/C20H19N3O3S/c1-26-19(25)14-6-4-13(5-7-14)18(24)21-15-8-9-16-17(12-15)27-20(22-16)23-10-2-3-11-23/h4-9,12H,2-3,10-11H2,1H3,(H,21,24)