methyl 4,5-dimethyl-2-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C17H15N3O5S3 MolecularWeight: 437.5131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H15N3O5S3/c1-8-9(2)27-15(14(8)16(22)25-3)19-13(21)7-26-17-18-11-5-4-10(20(23)24)6-12(11)28-17/h4-6H,7H2,1-3H3,(H,19,21)