ethyl 1-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]-5-(4-methoxyphenyl)-2-methyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]-5-(4-methoxyphenyl)-2-methyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxo-propyl]-5-(4-methoxyphenyl)-2-methyl-pyrrole-3-carboxylate CAS Name: 1-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-5-(4-methoxyphenyl)-2-methyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxylate Traditional Name: 1-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-keto-propyl]-5-(4-methoxyphenyl)-2-methyl-pyrrole-3-carboxylic acid ethyl ester Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C(=C(C=C3C4=CC=C(C=C4)OC)C(=O)OCC)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C(=C(C=C3C4=CC=C(C=C4)OC)C(=O)OCC)C

InChI

InChI=1S/C27H29N3O5S/c1-5-34-20-11-12-22-24(15-20)36-27(28-22)29-25(31)13-14-30-17(3)21(26(32)35-6-2)16-23(30)18-7-9-19(33-4)10-8-18/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,28,29,31)