ethyl 2-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[(3-chlorobenzothiophene-2-carbonyl)carbamothioylamino]thiazol-4-yl]acetate CAS Name: 2-[2-[[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[(3-chlorobenzothiophene-2-carbonyl)thiocarbamoylamino]thiazol-4-yl]acetic acid ethyl ester Formula: C17H14ClN3O3S3 MolecularWeight: 439.95936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C17H14ClN3O3S3/c1-2-24-12(22)7-9-8-26-17(19-9)21-16(25)20-15(23)14-13(18)10-5-3-4-6-11(10)27-14/h3-6,8H,2,7H2,1H3,(H2,19,20,21,23,25)