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

Systemtic Name: ethyl 2-[3-(5-nitrothiophen-2-yl)prop-2-enoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H13N3O5S2 MolecularWeight: 403.43222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O5S2/c1-2-25-16(22)10-3-6-12-13(9-10)27-17(18-12)19-14(21)7-4-11-5-8-15(26-11)20(23)24/h3-9H,2H2,1H3,(H,18,19,21)