5-(2-dimethylaminoethylcarbamoylamino)-3-[(2-methoxyphenyl)methylsulfanyl]-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-(2-dimethylaminoethylcarbamoylamino)-3-[(2-methoxyphenyl)methylsulfanyl]-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(2-dimethylaminoethylcarbamoylamino)-3-[(2-methoxyphenyl)methylsulfanyl]isothiazole-4-carboxylic acid CAS Name: 5-[[(2-dimethylaminoethylamino)-oxomethyl]amino]-3-[(2-methoxyphenyl)methylthio]-4-isothiazolecarboxylic acid IUPAC Name: 5-(2-dimethylaminoethylcarbamoylamino)-3-[(2-methoxyphenyl)methylsulfanyl]-1,2-thiazole-4-carboxylic acid Traditional Name: 5-(2-dimethylaminoethylcarbamoylamino)-3-(o-anisylthio)isothiazole-4-carboxylic acid Formula: C17H22N4O4S2 MolecularWeight: 410.51098

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)NC1=C(C(=NS1)SCC2=CC=CC=C2OC)C(=O)O

Isomeric SMILES

CN(C)CCNC(=O)NC1=C(C(=NS1)SCC2=CC=CC=C2OC)C(=O)O

InChI

InChI=1S/C17H22N4O4S2/c1-21(2)9-8-18-17(24)19-14-13(16(22)23)15(20-27-14)26-10-11-6-4-5-7-12(11)25-3/h4-7H,8-10H2,1-3H3,(H,22,23)(H2,18,19,24)