3-[5-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid

Systemtic Name: 3-[5-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[5-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[5-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]-oxomethyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[5-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[5-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]-2,4-dimethyl-1H-pyrrol-3-yl]propionic acid Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCC(=O)O)C)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC

Isomeric SMILES

CC1=C(NC(=C1CCC(=O)O)C)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC

InChI

InChI=1S/C18H19N3O4S/c1-9-12(5-7-15(22)23)10(2)19-16(9)17(24)21-18-20-13-6-4-11(25-3)8-14(13)26-18/h4,6,8,19H,5,7H2,1-3H3,(H,22,23)(H,20,21,24)