ethyl 2-[2-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[(5-nitrobenzothiophene-2-carbonyl)amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(5-nitro-1-benzothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[(5-nitrobenzothiophene-2-carbonyl)amino]thiazol-4-yl]acetic acid ethyl ester Formula: C16H13N3O5S2 MolecularWeight: 391.42152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5S2/c1-2-24-14(20)7-10-8-25-16(17-10)18-15(21)13-6-9-5-11(19(22)23)3-4-12(9)26-13/h3-6,8H,2,7H2,1H3,(H,17,18,21)