ethyl 2-[4-(azepan-1-ylsulfonyl)phenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[4-(azepan-1-ylsulfonyl)phenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C26H27N3O5S2 MolecularWeight: 525.63968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)S2)CC#C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)S2)CC#C

InChI

InChI=1S/C26H27N3O5S2/c1-3-15-29-22-14-11-20(25(31)34-4-2)18-23(22)35-26(29)27-24(30)19-9-12-21(13-10-19)36(32,33)28-16-7-5-6-8-17-28/h1,9-14,18H,4-8,15-17H2,2H3