methyl 2-[3-(5-nitrothiophen-2-yl)prop-2-enoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[3-(5-nitrothiophen-2-yl)prop-2-enoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[3-(5-nitro-2-thienyl)prop-2-enoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[3-(5-nitro-2-thiophenyl)-1-oxoprop-2-enyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(5-nitrothiophen-2-yl)prop-2-enoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[3-(5-nitro-2-thienyl)acryloyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C16H11N3O5S2 MolecularWeight: 389.40564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C=CC3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C=CC3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O5S2/c1-24-15(21)9-2-5-11-12(8-9)26-16(17-11)18-13(20)6-3-10-4-7-14(25-10)19(22)23/h2-8H,1H3,(H,17,18,20)